0 B11R1.15 C=CCN(C)c1cc(co1)C d171759b021e50688aff5f772b04aa35 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.15 C=CCN(C)c1ccc(o1)C b654adac2bcdaa5333f8bb714fc179b2 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.15 C=CCN(C)c1ccc(s1)C 08cb7a0b2df44b67deabff8ac2e29e56 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.15 C=CCN(C)c1ccc(s1)F 430f05ee2537878d4c9176d1effc8694 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.15 C=CCN(C)c1ccn(c1)C 1761a843d46cb0b44fccd83a796c81c6 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.15 C=CCN(C)c1ccn(n1)C 0bd77d39fbc9f2cccc90c6c31b830b4b [0,0,0,0,0,0|4,0,0]=4 6 B11R1.15 C=CCN(C)c1cnc(s1)C 2b3ed75c2ab9d95545ea4d9f690e27a4 [0,0,0,0,0,0|3,1,0]=4 7 B11R1.15 C=CCN(C)c1coc(n1)C c724cf3180cff2cb26f3b0f0b7c0039a [0,0,0,0,0,0|4,0,0]=4 8 B11R1.15 C=CCN(C)c1csc(n1)C 28fda53adb5eadb135293ee6f665129a [0,0,0,0,0,0|4,0,0]=4 9 B11R1.15 C=CCN(C)c1nc(co1)C 93f5966ba98f1af16355d822e015aad7 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.15 C=CCN(C)c1nc(cs1)C ad0354d3cf7a819b429d5707067ade72 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.15 C=CCN(C)c1ncc(o1)C b6e5bc388cacbae2b5beebc2c77434bf [0,0,0,0,0,0|3,0,0]=3 12 B11R1.15 C=CCN(C)c1ncc(s1)C 6589dfda8607dcf7dbfd93312db1106b [0,0,0,0,0,0|3,1,0]=4 13 B11R1.15 C=CCN(C)c1nnc(o1)C 037b22f56e41f28b3c6b4e5684e1bee3 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.15 CC(NC=O)c1ccc(s1)Br b948c5024c6ca81d4f3c4a7ca06e042d [0,0,0,0,0,0|2,1,0]=3 15 B11R1.15 CC(NC=O)c1ccc(s1)Cl 60d42b7fe313a207c813414d8561cfd8 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.15 CC(NC=O)c1ccn(n1)C 96d659ea8f21838fa350aa21b4cc6777 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.15 CC(NC=O)c1cnc(s1)Br 88d77a7771bd7700e0bd81e412a22940 [0,0,0,0,0,0|3,1,0]=4 18 B11R1.15 CC(NC=O)c1cnn(c1)C 26221b51b890ec8d830867307f86851d [0,0,0,0,0,0|4,0,0]=4 19 B11R1.15 CC(NC=O)c1csc(c1)Cl ee13a6b69784d3dd417481bbe2bbc33d [0,0,0,0,0,0|4,0,0]=4 20 B11R1.15 CCNC(C)c1ccc(o1)C 271fa2414ba38777da155b2209a86869 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.15 CCN[C@@H](C)c1ccc(s1)C 76dc688fef2034a18aac583543456784 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.15 CCN[C@H](C)c1ccc(o1)C 80275e4369678ae65bb7c97b72d2eff4 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.15 CCO[C@H](C)c1ccc(s1)C 73fe9fde851268694bf30cccd01f47df [0,0,0,0,0,0|2,1,1]=4 24 B11R1.15 CN(CC=O)c1ncc(s1)Br 1ee1c82be71c4061902fd23cde400e3d [0,0,0,0,0,0|3,1,0]=4 25 B11R1.15 C[C@@H](NC=O)c1cc(cs1)Br f92d547c44918edb7cabe709b144ea9d [0,0,0,0,0,0|4,0,0]=4 26 B11R1.15 C[C@@H](NC=O)c1ccc(s1)Br a0ebf3be538c7122979463a3efddc0e3 [0,0,0,0,0,0|2,1,0]=3 27 B11R1.15 C[C@@H](NC=O)c1ccc(s1)Cl eb79463079eb80cae3a91c6fc4f019fc [0,0,0,0,0,0|2,1,0]=3 28 B11R1.15 C[C@H](NC=O)c1cc(cs1)Br 67daffc0ea979c91a770ca63bd038bb1 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.15 Cc1cc(n[nH]1)N(C)CC=O 823321828b81d2d2526dbe6ffe5ab9c3 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.15 Cc1cc(no1)N(C)CC=O 51532d19e23ea5fe95ba5a839d919b58 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.15 Cc1cc(sn1)N(C)CC=O e9c7e3591159bedd5590c369435fa08a [0,0,0,0,0,0|4,0,0]=4 32 B11R1.15 Cc1ccc(o1)C(C)NC=O 71f1a9296ced8fd2a8ba047e447d99cf [0,0,0,0,0,0|1,0,0]=1 33 B11R1.15 Cc1ccc(o1)C(C)NCF 52c7b31852129afdf2e35e47e26699f7 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.15 Cc1ccc(o1)C(C)NCO 5eba79244296e05703e9da783175b93d [0,0,0,0,0,0|1,0,2]=3 35 B11R1.15 Cc1ccc(o1)N(C)CCO dc59adb0bfea27a84f70839b9b706132 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.15 Cc1ccc(o1)[C@@H](C)NC=O 23e886ee06b00a44f9dbf68c74204037 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.15 Cc1ccc(o1)[C@@H](C)NCF 0f8f9a4d8bde08402dc87bb00191207c [0,0,0,0,0,0|2,0,1]=3 38 B11R1.15 Cc1ccc(o1)[C@@H](C)NCO 903b1c61ccd1abdb0d61816f7f60efd7 [0,0,0,0,0,0|1,0,2]=3 39 B11R1.15 Cc1ccc(s1)[C@@H](C)OCF 1ec42c43f8ce756ed3b5c41eb9609322 [0,0,0,0,0,0|2,1,1]=4 40 B11R1.15 Cc1ccc(s1)[C@H](C)NC=O b650be45ddb1a590ab03a185feac3341 [0,0,0,0,0,0|1,1,0]=2 41 B11R1.15 Cc1ccc(s1)[C@H](C)NCF cb0effb8bcb48d58ec77b40bcdd2f5f2 [0,0,0,0,0,0|2,1,1]=4 42 B11R1.15 Cc1ccc(s1)[C@H](C)NCO fbbca7267cbefd417368de8438ff827d [0,0,0,0,0,0|1,1,2]=4 43 B11R1.15 Cc1cnc(o1)N(C)CCO f8d49e49cd73af018328acbd2c92c5ca [0,0,0,0,0,0|2,0,2]=4 44 B11R1.15 Cc1cnc(s1)N(C)CC=O 5c2f07025672c5354b2f5e8d2c3f9b09 [0,0,0,0,0,0|2,1,0]=3 45 B11R1.15 Cc1csc(n1)C(C)NC=O ad3812304f97cf49818efccf711dd22d [0,0,0,0,0,0|3,0,0]=3 46 B11R1.15 Cc1csc(n1)N(C)CC=O d72e9d65e0a7a3452944bcd02605e8d8 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.15 Cc1nc(cs1)C(C)NC=O b9d9c77d8789e800b5549bef19ba91ad [0,0,0,0,0,0|3,0,0]=3 48 B11R1.15 Cc1nc(no1)N(C)CC=O 976a21bf0719da01a874429d76f7c08b [0,0,0,0,0,0|4,0,0]=4 49 B11R1.15 Cc1nnc(s1)N(C)CC=O 65cd8f1338cb6e2306f19a8e2f8c0c41 [0,0,0,0,0,0|3,1,0]=4 50 B11R1.15 Cc1noc(n1)N(C)CC=O da66928e84b19203601c2de5f3dabf52 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.15 Cc1noc(n1)[C@H](C)NC=O 66853de76490070f67b352f5b4ae4066 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.15 Cc1nsc(n1)N(C)CC=O 349326301dfe126637cf027295b21503 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.11 C=CCN(C)c1cccs1 502f71c717b4d7bf127fe205b4c74ec9 [1,0,0,0,0,0|2,1,0]=4 54 B10R1.11 C=CCN(C)c1ccno1 cdf9116a586cb5e5df8a18e865adb7d8 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.11 C=CCN(C)c1ncco1 997e40920d3b57ff0d7823d20e77317c [1,0,0,0,0,0|3,0,0]=4 56 B10R1.11 CC(NC=O)c1ccco1 ddbe85663f32152ae7a905d80f70dce5 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.11 CC(NC=O)c1cccs1 e140bba64e4c2e9bddbde06232ed8a5f [1,0,0,0,0,0|1,1,0]=3 58 B10R1.11 CC(NC=O)c1ccoc1 2811134c8227cdf5b9691866dcf66d36 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.11 CC(NC=O)c1ccon1 24e1a91d80a386e7854e29d22ad6ca99 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.11 CC(NC=O)c1ccsc1 576b20a63c79111b9a1c29ce06b60d3e [1,0,0,0,0,0|3,0,0]=4 61 B10R1.11 CC(NC=O)c1cncs1 9230c15b6f2b2891301c04b9c217f879 [1,0,0,0,0,0|2,1,0]=4 62 B10R1.11 CC(NC=O)c1cscn1 5462f345d5d44b1fd6712d129e61c3c0 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.11 CC(NC=O)c1ncco1 8048fbe8a07781fd7bf6043c57ee8b10 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.11 CC(NC=O)c1nccs1 541a9450fe3fad09b4e159d90cc05a59 [1,0,0,0,0,0|2,1,0]=4 65 B10R1.11 CC(NC=O)c1nnco1 489dc2cda99c178e0aaa21131254f978 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [1,0,0,0,0,0|2,0,1]=4 67 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [1,0,0,0,0,0|2,0,1]=4 71 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [1,0,0,0,0,0|2,0,1]=4 72 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.11 CN(CC=O)c1cc[nH]n1 fd5dad024c9fc29e47dca2d1b33ffeb5 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.11 CN(CC=O)c1ccon1 ce0fae9e490fe8e5372a02ce212edbe8 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.11 CN(CC=O)c1ccsc1 7ac56bbd800ddd41f78d0c86cd85de15 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.11 CN(CC=O)c1ncc[nH]1 af943169341516cbe3413db3fc7fb45c [1,0,0,0,0,0|3,0,0]=4 77 B10R1.11 CN(CC=O)c1ncco1 67ddaa0508c67b711ba2fcc9711a9eda [1,0,0,0,0,0|2,0,0]=3 78 B10R1.11 CN(CC=O)c1nccs1 1fe9f35417f4cf53e23d6593480e480d [1,0,0,0,0,0|2,1,0]=4 79 B10R1.11 CN(CC=O)c1nnco1 ebf53e9902950ddc021300597b02e7e5 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.11 C[C@@H](NC=O)c1ccco1 dabf68fc67919a7d4d3c16b33f054bdc [1,0,0,0,0,0|1,0,0]=2 81 B10R1.11 C[C@@H](NC=O)c1cccs1 f70bf3c872f03105dbd63b63dbb8840f [1,0,0,0,0,0|1,1,0]=3 82 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [1,0,0,0,0,0|2,0,1]=4 83 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.11 C[C@H](NC=O)c1cccs1 4bb0ea6a6a82193677c759d4799a10ee [1,0,0,0,0,0|1,1,0]=3 86 B10R1.11 C[C@H](NC=O)c1ccoc1 10eaf71b137e99872e8c899c92e2b876 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.11 C[C@H](NC=O)c1ccsc1 8c6ffbbb48fa2c122b2d7f02d8e09738 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.11 C[C@H](NC=O)c1cncs1 a0ad84a204536af4e51c91a82f20b98f [1,0,0,0,0,0|2,1,0]=4 89 B10R1.11 C[C@H](NC=O)c1nccs1 22346718a3f9347e57fdc1e347f48e6e [1,0,0,0,0,0|2,1,0]=4 90 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [1,0,0,0,0,0|1,0,1]=3 91 B10R1.14 Cc1csc(n1)N(C)C=O f02723a7096f245a3feb7fb4e980a086 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.16 C=CCNc1ccc(s1)C 36f82754d5b8acd0c2df40fa4df39e81 [1,0,0,0,0,0|2,1,0]=4 93 B10R1.16 C=CCNc1cnc(o1)C 6753b7383d8a8908b46401e2bd43002c [1,0,0,0,0,0|3,0,0]=4 94 B10R1.16 C=CCNc1ncc(o1)C f51373c0779d8ea5a2075f6708f02da8 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [1,0,0,0,0,0|2,0,1]=4 97 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [1,0,0,0,0,0|2,0,1]=4 98 B10R1.16 Cc1ccc(o1)CNC=O 02731b87228ef2993aa4f8004ecf0c06 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.16 Cc1ccc(o1)CNCF 13f986aeea8b775a60238e693104a65f [1,0,0,0,0,0|2,0,1]=4 100 B10R1.16 Cc1ccc(o1)CNCO d041abacf9ec57978eefc828a709cf3e [1,0,0,0,0,0|1,0,2]=4 101 B10R1.16 Cc1ccc(o1)COCF b0346ecdfb2d15ace5ee263215c686ed [1,0,0,0,0,0|2,0,1]=4 102 B10R1.16 Cc1ccc(o1)NCC#N 190cf4c657df20698b87afd68e2d6f67 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.16 Cc1ccc(o1)NCCBr 94c6919c892b86247ed83a8027489e92 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.16 Cc1ccc(o1)NCCF 5157fb3f16887366e8eb971894b56115 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.16 Cc1ccc(o1)NCCI f698b019425ec2fdad0493a890dbe883 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.16 Cc1ccc(o1)NCCO 0ad3b90a9625fc21f82fe655b7cdc742 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.16 Cc1ccc(o1)NCCS 5aa97c71f850e633340c564b9c419f25 [1,0,0,0,0,0|1,1,1]=4 108 B10R1.16 Cc1ccc(s1)CNC=O fc6468575008e634f5c5946401a36ed1 [1,0,0,0,0,0|1,1,0]=3 109 B10R1.16 Cc1ccc(s1)NCC=O 02b8353e4c3f1d484a232c81960dccc1 [1,0,0,0,0,0|1,1,0]=3 110 B10R1.16 Cc1cnc([nH]1)NCC=O e8981f3e3ac375ce8344537c104520d5 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.16 Cc1cnc(o1)CNC=O f7b0625438ac26ada645342eaa0f99c5 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.16 Cc1cnc(o1)NCC=O 94dd205e7c3bd60120f3e99e6c3aca45 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.16 Cc1cnc(s1)CNC=O c36f1cd1a52cdbb69a5f17c3a0a982a7 [1,0,0,0,0,0|2,1,0]=4 114 B10R1.16 Cc1cnc(s1)NCC=O 3831e9a5fc6176b264d4174c2504fedf [1,0,0,0,0,0|2,1,0]=4 115 B10R1.16 Cc1coc(c1)CNC=O 314a057a6471b418ab58d9c60bd4c733 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.16 Cc1coc(n1)CNC=O a760e55a2923bab45dbb87f6cd85c646 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.16 Cc1coc(n1)NCC=O 3a7ebe089242d0d55db3fec7ac466ccc [1,0,0,0,0,0|3,0,0]=4 118 B10R1.16 Cc1csc(c1)CNC=O aea632179bec77ae7bed276c7bfa4320 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.16 Cc1csc(c1)OCC=O 575999b474300732ec947b01c3f08f8f [1,0,0,0,0,0|3,0,0]=4 120 B10R1.16 Cc1csc(n1)CNC=O 89fd956e1a15f8ffab4fe8206c32d803 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.16 Cc1csc(n1)NCC=O e91afffb99741295f1bfd4c3a589af91 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.16 Cc1nc(co1)CNC=O 549dd3580932963f2c1f626de28559c8 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.16 Cc1nc(cs1)CNC=O 732ecbc4b257bef5c5bd60d1ed8929db [1,0,0,0,0,0|3,0,0]=4 124 B10R1.16 Cc1ncc(o1)CNC=O 574700874a763c6bca5c22d37610c2de [1,0,0,0,0,0|2,0,0]=3 125 B10R1.16 Cc1ncc(o1)NCC=O c951de74d2a852d38b790fd6d3825f7b [1,0,0,0,0,0|2,0,0]=3 126 B10R1.16 Cc1ncc(s1)CNC=O a84ade2c738c56b85610d6b0b61f6940 [1,0,0,0,0,0|2,1,0]=4 127 B10R1.16 Cc1ncc(s1)NCC=O 1809915a9c95721b39f592a92c778918 [1,0,0,0,0,0|2,1,0]=4 128 B10R1.16 Cc1nnc(o1)CNC=O 0e7a10a7f581efbb46e9a110d0a18eb2 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.16 Cc1nnc(o1)NCC=O 989c3c3500eddb89f09ccbfbfcfb58db [1,0,0,0,0,0|3,0,0]=4 130 B10R1.16 Cn1ccc(n1)CNC=O adc52603a7a12b74f2548573adfbbf3b [1,0,0,0,0,0|3,0,0]=4 131 B10R1.16 Cn1ccc(n1)NCC=O f6c59d5691255bdb43cb4c323c27f2b9 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.16 Cn1ccc(n1)OCC=O 52ac89417e9fbeb31af7b89b29966fee [1,0,0,0,0,0|3,0,0]=4 133 B10R1.16 O=CCNc1ccc(s1)Br a45e132bc2a4eafe3405aa14559be107 [1,0,0,0,0,0|2,1,0]=4 134 B10R1.16 O=CCOC1C=CC(=O)O1 70ad90111339cee0b4b8e4ca8b783dae [1,0,0,0,0,0|2,0,1]=4 135 B10R1.16 O=CCOc1ccc(s1)Br 9ce17bef9fde7aca4ca6092b23dc75e4 [1,0,0,0,0,0|2,1,0]=4 136 B10R1.16 O=CNCc1ccc(o1)Br 757e0e439181d815d74ee7edde717301 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.16 O=CNCc1ccc(s1)Br 6d558d768515f9ea2d6134d57133a8dd [1,0,0,0,0,0|2,1,0]=4 138 B10R1.16 O=CNCc1ccc(s1)Cl f3b25be17f4504a4a45886eb369c45ef [1,0,0,0,0,0|2,1,0]=4 139 B10R1.16 O=CNCc1ccc(s1)F f9e754f12ea44d05bb249ef27e9efe9e [1,0,0,0,0,0|2,1,0]=4 140 B10R1.16 O=CNCc1ncc(o1)Br 389cfec1ee945bd3db9e0cc903f9ce9d [1,0,0,0,0,0|3,0,0]=4 141 B12R1.2 C=CCN(C#N)c1ccc(o1)C b4541aee15cdfb0747ceb3fbd7f3bf23 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.2 CCC(NC=O)c1ccc(o1)C 221cefd2097eee0c30ab6c7e18b17298 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.2 CCC(NC=O)c1ccc(s1)Cl d564ed2675c15d65c217b2ad9270902d [0,1,0,0,0,0|2,1,0]=4 144 B12R1.2 CCC(NC=O)c1ccn(n1)C e85ccd0c74a9127ee668cf6f3f7b935f [0,1,0,0,0,0|3,0,0]=4 145 B12R1.2 CCC(NCF)c1ccc(o1)C 928f9933d890f7646e684417a8cb21a2 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.2 CCC(NCO)c1ccc(o1)C 9435f4118fd4c642d0bad613e9528e4d [0,1,0,0,0,0|1,0,2]=4 147 B12R1.2 CCN(CCCl)c1ccc(o1)C 4f2946f8d4188f4515df122ef129419f [0,1,0,0,0,0|2,0,1]=4 148 B12R1.2 CCN(CCO)c1ccc(o1)C 8bb3b31ad6b2be2512b2db1b1a395b29 [0,1,0,0,0,0|1,0,2]=4 149 B12R1.2 CCNC(CC)c1ccc(o1)C 147f54d9676f4d8bffc768f9dc5b45db [0,1,0,0,0,0|2,0,1]=4 150 B12R1.2 CCN[C@@H](CC)c1ccc(o1)C d2764a2142d0c10365c7fc77bfb66172 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.2 CCN[C@@H](CO)c1ccc(o1)C a5349a0c7fb57d1d06f031a8b899ff7c [0,1,0,0,0,0|2,0,1]=4 152 B12R1.2 CCN[C@H](CC)c1ccc(o1)C f9687ec7251cf3795ba2b9222a7b40ab [0,1,0,0,0,0|2,0,1]=4 153 B12R1.2 CCN[C@H](CO)c1ccc(o1)C 0cd08caae5c2a493ba5f45fca6d85d29 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.2 CC[C@@H](NC=O)c1ccc(o1)C e9f1d4c261ee7683be4cb23064880cb5 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.2 CC[C@@H](NCF)c1ccc(o1)C 0c238c8319615cebcc7b3ab96621efa6 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.2 CC[C@@H](NCO)c1ccc(o1)C ab58ca0264e71f460170797419d548c4 [0,1,0,0,0,0|1,0,2]=4 157 B12R1.2 CC[C@H](NC=O)c1ccc(o1)C b470e30e0c8e58f535a9cfbba2b5b67a [0,1,0,0,0,0|1,0,0]=2 158 B12R1.2 CC[C@H](NCF)c1ccc(o1)C bec2d2f953b9e102dd8ff7639454004e [0,1,0,0,0,0|2,0,1]=4 159 B12R1.2 CC[C@H](NCO)c1ccc(o1)C f8009096009c3d38981adb8b0696478e [0,1,0,0,0,0|1,0,2]=4 160 B12R1.2 Cc1ccc(o1)N(CO)CCO ded9b5c9e4a899c02a9abb3e498dabc9 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.2 Cc1ccc(o1)[C@@H](CO)NC=O 69ecca44acb126920fc33dffbc3d8b7a [0,1,0,0,0,0|1,0,0]=2 162 B12R1.2 Cc1ccc(o1)[C@@H](CO)NCF 15a63fecc0bf2f27ce0f05af7190fbd8 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.2 Cc1ccc(o1)[C@@H](CO)NCO ef13b780af615bff870800f82981004b [0,1,0,0,0,0|1,0,2]=4 164 B12R1.2 Cc1ccc(o1)[C@H](CO)NC=O 0aa86277c6f8256918b0df58038ecd1a [0,1,0,0,0,0|1,0,0]=2 165 B12R1.2 Cc1ccc(o1)[C@H](CO)NCF 1a9f6f66857754a985c483eff45e7ff2 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.2 Cc1ccc(o1)[C@H](CO)NCO a57e766494eae4798231641644a5db80 [0,1,0,0,0,0|1,0,2]=4 167 B12R1.29 C#CCNC(C)c1ccc(o1)C ea1185d78626362ce39847671f87191b [0,1,0,0,0,0|1,0,1]=3 168 B12R1.29 C#CCN[C@@H](C)c1ccc(s1)C 1455b1b640f53ebf27e13ad11cf3bbe7 [0,1,0,0,0,0|1,1,1]=4 169 B12R1.29 C#CCN[C@H](C)c1ccc(o1)C 548d234da844b4fc455dd197151a9f7e [0,1,0,0,0,0|1,0,1]=3 170 B12R1.29 C#CCO[C@H](C)c1ccc(s1)C d2dae7f323c3164079abe61d6691b7eb [0,1,0,0,0,0|1,1,1]=4 171 B12R1.29 C=CCCN(C)c1ccc(o1)C bba986f0ee8e64dd61baae008794a051 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.29 C=CCCN(C)c1ccc(s1)C 94a35eea3782fdec537f55cc08669c5a [0,1,0,0,0,0|2,1,0]=4 173 B12R1.29 C=CCCN(C)c1ncc(o1)C 67ddfb3c7fd468e8333ba8ddec84a589 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.29 C=CCNC(C)c1ccc(o1)C f570f56b468957f228088ea9b24cd56d [0,1,0,0,0,0|1,0,0]=2 175 B12R1.29 C=CCNC(C)c1ccc(s1)Br 86353a94163a4dfd9c23bc5a573de266 [0,1,0,0,0,0|2,1,0]=4 176 B12R1.29 C=CCNC(C)c1ccc(s1)Cl cf1734ff5a7e55d31ad5eea8cf605091 [0,1,0,0,0,0|2,1,0]=4 177 B12R1.29 C=CCNC(C)c1ccn(n1)C 1a0aeb229b33e6151e2a6b0583dfb733 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.29 C=CCNC(C)c1csc(n1)C 623fce013603833a77b5b2bd18d5390a [0,1,0,0,0,0|3,0,0]=4 179 B12R1.29 C=CCNC(C)c1nc(cs1)C d8355dd11010da2fca1d25f23f38d8d5 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.29 C=CCN[C@@H](C)c1ccc(s1)C a560f45c88a4c5c8df4001713d6d80c6 [0,1,0,0,0,0|1,1,0]=3 181 B12R1.29 C=CCN[C@H](C)c1ccc(o1)C 3e3b28610c1cb1b0d1c4e3ed0c525c8c [0,1,0,0,0,0|1,0,0]=2 182 B12R1.29 C=CCN[C@H](C)c1ccc(s1)Br c2bc738b0bb14aa120193dff41d9c0cd [0,1,0,0,0,0|2,1,0]=4 183 B12R1.29 C=CCN[C@H](C)c1ccc(s1)Cl a485dc4500932353b87dc256757d4d96 [0,1,0,0,0,0|2,1,0]=4 184 B12R1.29 C=CCOC(C)c1ccc(s1)Cl 5b1afea439e77f83583dc7e9adf380fa [0,1,0,0,0,0|2,1,0]=4 185 B12R1.29 C=CCOC(C)c1ccn(n1)C 1bcb32de93f8dbbc2d5cacaa8cba09f6 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.29 C=CCOC(C)c1cnc(s1)C 450fe3198a61bb53495b82ba7adde78e [0,1,0,0,0,0|2,1,0]=4 187 B12R1.29 C=CCOC(C)c1csc(c1)C d7cc9e569f9bdc00f65ddb30896ca85b [0,1,0,0,0,0|3,0,0]=4 188 B12R1.29 C=CCO[C@H](C)c1ccc(s1)Br 5d039f93271477ab9ed8b9579c7a349b [0,1,0,0,0,0|2,1,0]=4 189 B12R1.29 C=CCO[C@H](C)c1ccc(s1)C 036d9bbb7f9f2c2cddd67da2e4c366a2 [0,1,0,0,0,0|1,1,0]=3 190 B12R1.29 CC(NCC=O)c1ccc(s1)Br 4b90a03d5eb2588895b8ba53d585e830 [0,1,0,0,0,0|1,1,0]=3 191 B12R1.29 CC(NCC=O)c1ccc(s1)Cl b180c18ca445272f7d75b8fe6fa4efcf [0,1,0,0,0,0|1,1,0]=3 192 B12R1.29 CC(NCC=O)c1ccn(n1)C 8b544dbcf9fdd0c64f3781068df2680e [0,1,0,0,0,0|2,0,0]=3 193 B12R1.29 CC(NCC=O)c1cnc(s1)Br 8f6f6022e8eb24b409186fe046015437 [0,1,0,0,0,0|2,1,0]=4 194 B12R1.29 CC(NCC=O)c1cnn(c1)C 612ce66bbdb22d815073af70ce70aaae [0,1,0,0,0,0|3,0,0]=4 195 B12R1.29 CC(NCC=O)c1csc(c1)Cl b033dee47e33e43c6913b6882783d5da [0,1,0,0,0,0|3,0,0]=4 196 B12R1.29 CC(NCC=O)c1nc(cs1)Br bfe9a9960b01b08f3869ce6466ddf70b [0,1,0,0,0,0|3,0,0]=4 197 B12R1.29 CC(OCC=O)c1cc(cs1)Br 72fd6b1e7d13651ab88e53cc677b4da8 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.29 CC(OCC=O)c1ccc(s1)Cl 4f2ee4ae8a62f46a529765b442e5a958 [0,1,0,0,0,0|1,1,0]=3 199 B12R1.29 CC(OCC=O)c1ccn(n1)C dcecdd7f65ff601c817c00fc48962f26 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.29 CC(OCC=O)c1cn(cn1)C faf3596874cc00d3bf36ed0c6ec197d2 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.29 CC(OCC=O)c1cnn(c1)C 6bd708fa8ba935cdbd1f5a6a4c9b4cab [0,1,0,0,0,0|3,0,0]=4 202 B12R1.29 CC(OCC=O)c1csc(c1)Br 807a746782e1fae4b368a18c17a34156 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.29 CC(OCC=O)c1csc(c1)Cl b2dfd6666d9a94aa45679d30bcc8ded4 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.29 CCCCN(C)c1ccc(o1)C 7de32e6fa497a6d952a794ecf1437856 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.29 CCCNC(C)c1ccc(o1)C f67d3c7cc5122f3180d8cff508c5ff2d [0,1,0,0,0,0|1,0,1]=3 206 B12R1.29 CCCN[C@@H](C)c1ccc(s1)C 095292ef04bd89ba3ce866865fa58dfa [0,1,0,0,0,0|1,1,1]=4 207 B12R1.29 CCCN[C@H](C)c1ccc(o1)C d23ccfc5d8626157b75eaaa0bbea01fc [0,1,0,0,0,0|1,0,1]=3 208 B12R1.29 CCCO[C@H](C)c1ccc(s1)C e79faf85f563c5026886624e17fae9da [0,1,0,0,0,0|1,1,1]=4 209 B12R1.29 COCCN(C)c1ccc(o1)C 71dda6d676bce0f8de07b4b65768c4cd [0,1,0,0,0,0|1,0,2]=4 210 B12R1.29 COCNC(C)c1ccc(o1)C c4c534ef97848cc517a3952cef5ce8fd [0,1,0,0,0,0|2,0,0]=3 211 B12R1.29 COCN[C@@H](C)c1ccc(s1)C a3c1f2fffe0bd6678c0a8394af54b9da [0,1,0,0,0,0|2,1,0]=4 212 B12R1.29 COCN[C@H](C)c1ccc(o1)C 456a9d6ef87fefe06fadeb33161a4f36 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.29 COCO[C@H](C)c1ccc(s1)C 537a34ce4bcb349d6ddd4ed5f15e3a4f [0,1,0,0,0,0|2,1,0]=4 214 B12R1.29 CSCCN(C)c1ccc(o1)C 05fe02972360bb32db196dc6e5f15ab5 [0,1,0,0,0,0|1,1,1]=4 215 B12R1.29 CSCNC(C)c1ccc(o1)C d19df44d1d13dbfd0593c6991962fc31 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.29 CSCN[C@@H](C)c1ccc(s1)C dbf430c9f060ce4e30f2b5bbc084e240 [0,1,0,0,0,0|2,1,0]=4 217 B12R1.29 CSCN[C@H](C)c1ccc(o1)C 013a89634adb3f9cda9cd156cb08fc66 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.29 CSCO[C@H](C)c1ccc(s1)C 853fa32ecfabbfb22b690644e03d91ca [0,1,0,0,0,0|2,1,0]=4 219 B12R1.29 C[C@@H](NCC=O)c1cc(cs1)Br 3632d23734da1e30edd80c133a4189b7 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.29 C[C@@H](NCC=O)c1ccc(s1)Br bd029aa43430bc7014e4a8fa005b7497 [0,1,0,0,0,0|1,1,0]=3 221 B12R1.29 C[C@@H](NCC=O)c1ccc(s1)Cl f347c4ed38adbca7db63512cf90827c1 [0,1,0,0,0,0|1,1,0]=3 222 B12R1.29 C[C@@H](OCC=O)c1cc(cs1)Br 16c9cd62a831267a1f039ff86db4ebc4 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.29 C[C@@H](OCC=O)c1ccc(s1)Br de015bb135ce310a17d4c0648ad458e3 [0,1,0,0,0,0|1,1,0]=3 224 B12R1.29 C[C@H](NCC=O)c1cc(cs1)Br 746959630b30a4eaae7ba0a501b06608 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.29 C[C@H](NCC=O)c1ncc(s1)Br 387abf0898fc08b375a7f3d34c6a4c9a [0,1,0,0,0,0|2,1,0]=4 226 B12R1.29 C[C@H](OCC=O)c1cc(cs1)Br 0f786bb3da8935b9084622fe93db402b [0,1,0,0,0,0|3,0,0]=4 227 B12R1.29 Cc1cc(cs1)C(C)OCC=O b67ca69e455ffacf16a4ed5c38f83147 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.29 Cc1cc(on1)C(C)NCC=O 44bebb86bf74357f935df8bb8f2fc0a0 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.29 Cc1ccc(o1)C(C)NCC#N 8af80f119a80158f53ebb67000e84729 [0,1,0,0,0,0|1,0,1]=3 230 B12R1.29 Cc1ccc(o1)C(C)NCC=O 667b35e6fdf599f6d434b8736c98cc36 [0,1,0,0,0,0|0,0,0]=1 231 B12R1.29 Cc1ccc(o1)C(C)NCCF 7b1eb149be10255e438c1ce9f35c8bdb [0,1,0,0,0,0|1,0,1]=3 232 B12R1.29 Cc1ccc(o1)C(C)NCCO ba4ff1d49e00e70de3c9dc8a42561807 [0,1,0,0,0,0|0,0,2]=3 233 B12R1.29 Cc1ccc(o1)C(C)NCCS 71aff4a6fe65c5b2a2d401cb87140711 [0,1,0,0,0,0|0,1,1]=3 234 B12R1.29 Cc1ccc(o1)N(C)CCCO 6b14d22d28449bd76d1d2bd131047050 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.29 Cc1ccc(o1)N(C)CCON f9b4f3f99f17152f52b1a3e72abd1d89 [0,1,0,0,0,0|1,0,2]=4 236 B12R1.29 Cc1ccc(o1)[C@@H](C)NCC#N d1e9b47ce29467ffbc8176ad5a38f5cb [0,1,0,0,0,0|1,0,1]=3 237 B12R1.29 Cc1ccc(o1)[C@@H](C)NCC=O efb9a589c438b898be4e5e6567069228 [0,1,0,0,0,0|0,0,0]=1 238 B12R1.29 Cc1ccc(o1)[C@@H](C)NCCF 90177f40685824054694172acb57f6c8 [0,1,0,0,0,0|1,0,1]=3 239 B12R1.29 Cc1ccc(o1)[C@@H](C)NCCO 60ae214517e51f71fa435d237e21040f [0,1,0,0,0,0|0,0,2]=3 240 B12R1.29 Cc1ccc(o1)[C@@H](C)NCCS 190d2cd834a1f9bb085bdac87b1bde2d [0,1,0,0,0,0|0,1,1]=3 241 B12R1.29 Cc1ccc(s1)[C@@H](C)OCC#N c91e07b716d0722ace51d49219105891 [0,1,0,0,0,0|1,1,1]=4 242 B12R1.29 Cc1ccc(s1)[C@@H](C)OCC=O 883a4eacf5b7ad389b33f4e2ab3643a1 [0,1,0,0,0,0|0,1,0]=2 243 B12R1.29 Cc1ccc(s1)[C@@H](C)OCCF a2bc58bf26e57eb7253e1fd154160fe1 [0,1,0,0,0,0|1,1,1]=4 244 B12R1.29 Cc1ccc(s1)[C@@H](C)OCCS 3a597d24b16bc1a44dcbfefb7ebb2bb5 [0,1,0,0,0,0|0,2,1]=4 245 B12R1.29 Cc1ccc(s1)[C@H](C)NCC#N f0c4a267486f6dd7041ac6b0a7ceeaee [0,1,0,0,0,0|1,1,1]=4 246 B12R1.29 Cc1ccc(s1)[C@H](C)NCC=O e0b7fb1ccf37dfd06baebd08b7329851 [0,1,0,0,0,0|0,1,0]=2 247 B12R1.29 Cc1ccc(s1)[C@H](C)NCCF e93f56767965d4a666490416878dd5c6 [0,1,0,0,0,0|1,1,1]=4 248 B12R1.29 Cc1ccc(s1)[C@H](C)NCCO e2585d5f23ec3ecca1263c298a56618a [0,1,0,0,0,0|0,1,2]=4 249 B12R1.29 Cc1ccc(s1)[C@H](C)NCCS c2896983cdeefcf4d5b652e1b54e850b [0,1,0,0,0,0|0,2,1]=4 250 B12R1.29 Cc1ccn(n1)C(C)CNC=O d4696519a92ec7754ff933bad04f795f [0,1,0,0,0,0|2,0,0]=3 251 B12R1.29 Cc1cnc(s1)N(C)CCC=O 46836a5206f08fec1946d3c08f7560da [0,1,0,0,0,0|2,1,0]=4 252 B12R1.29 Cc1csc(n1)C(C)CNC=O f2c83e4614a2d597bf4a3d1e14f8f244 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.29 Cc1csc(n1)C(C)NCC=O 2641907bff848400e18e76da9f754ff2 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.29 Cc1csc(n1)C(C)OCC=O dc36c12e1c2f0ba3884a08740204a069 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.29 Cc1csc(n1)N(C)CCC=O 079e9af1bfb84fb85a264db0a8a3768c [0,1,0,0,0,0|3,0,0]=4 256 B12R1.29 Cc1nc(cs1)C(C)NCC=O d6be8c4b35c26ba050f1584d293465ff [0,1,0,0,0,0|2,0,0]=3 257 B12R1.29 Cc1ncc(s1)C(C)OCC=O 83e6f4290e55df37a6bc44554f6315ee [0,1,0,0,0,0|1,1,0]=3 258 B12R1.29 Cc1noc(n1)C(C)OCC=O 6539b42e6be883f0980af1820134d050 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.29 Cc1noc(n1)[C@H](C)NCC=O 5f1d8374f1b9673d38424092c1f09573 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.33 CCC(C)N(C)c1ccc(o1)C 9fa362f7b989e948d79065bfde7fd6b1 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.33 Cc1ccc(o1)N(C)C(C)CO 7b531960ae1f6aea5ac5c9119f16be6c [0,1,0,0,0,0|1,0,2]=4 262 B12R1.33 Cc1ccc(o1)N(C)[C@@H](C)CO cd922b4c1b71be56e84c0061c48de99e [0,1,0,0,0,0|1,0,2]=4 263 B12R1.33 Cc1ccc(o1)N(C)[C@H](C)CO 01c76abf899db39a1ad81c0c80e085cd [0,1,0,0,0,0|1,0,2]=4 264 B12R1.33 Cc1cnc(s1)N(C)C(C)C=O a5e152157da826420a600aec9af610fa [0,1,0,0,0,0|2,1,0]=4 265 B12R1.33 Cc1cnc(s1)N(C)[C@H](C)C=O 674759d86491ac0181ac714ef6dd035c [0,1,0,0,0,0|2,1,0]=4 266 B12R1.33 Cc1csc(n1)N(C)C(C)C=O 95d29bfc32066ecc1831f53cd01d5e1a [0,1,0,0,0,0|3,0,0]=4 267 B12R1.33 Cc1csc(n1)N(C)[C@H](C)C=O b756e5adf5f6722cb3074eb7b07fc6a4 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.103 CC(=O)NC(C)c1ccc(o1)C 14a20018db4e1debf3fe6aa5b76e92ac [0,1,0,0,0,0|1,0,0]=2 269 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 2da7b6768efd3e33610d9e4904025ca9 [0,1,0,0,0,0|2,1,0]=4 270 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl ceb7cac0085c2046b71abc98b15b5cba [0,1,0,0,0,0|2,1,0]=4 271 B12R1.103 CC(=O)NC(C)c1ccn(n1)C bf68d4d6ebd399902e54b7cef4a7e253 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.103 CC(=O)NC(C)c1csc(n1)C cdcfbe5d38800cb0820f16ddf426a66b [0,1,0,0,0,0|3,0,0]=4 273 B12R1.103 CC(=O)NC(C)c1nc(cs1)C 093e07fe661eacaff6b1a0daa3aaceef [0,1,0,0,0,0|3,0,0]=4 274 B12R1.103 CC(=O)N[C@@H](C)c1ccc(s1)C e954d5894c784cca9eb3d710a275b1c9 [0,1,0,0,0,0|1,1,0]=3 275 B12R1.103 CC(=O)N[C@H](C)c1ccc(o1)C faeeb9777d1dcbea4d54f534cc0e11d3 [0,1,0,0,0,0|1,0,0]=2 276 B12R1.103 CC(=O)N[C@H](C)c1ccc(s1)Br 0c0572cac6384d039e82f2cc3081cb4f [0,1,0,0,0,0|2,1,0]=4 277 B12R1.103 CC(=O)N[C@H](C)c1ccc(s1)Cl d1e501255336cc2673c9bbc7f1e7cbd3 [0,1,0,0,0,0|2,1,0]=4 278 B12R1.103 CN(CC(=O)N)c1ccc(s1)F 2e0533658fbda8686192d384c6ec544c [0,1,0,0,0,0|2,1,0]=4 279 B12R1.103 CN(CC(=O)N)c1ccn(n1)C 965dd1182cab6fa33fdfa64816f2560a [0,1,0,0,0,0|3,0,0]=4 280 B12R1.103 Cc1ccc(o1)C(C)NC(C)C c4d745e8e213ca24a64874811fc63c0a [0,1,0,0,0,0|2,0,1]=4 281 B12R1.103 Cc1ccc(o1)N(C)CC(=O)N 2629a8faad891af35e0284b4019069e3 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.103 Cc1ccc(o1)N(C)CC(C)C 62da261c89a4ac410f67a7194dc141ea [0,1,0,0,0,0|2,0,1]=4 283 B12R1.103 Cc1ccc(o1)N(C)CC(C)O b86e4896886f1e10f0906f11f60f9516 [0,1,0,0,0,0|1,0,2]=4 284 B12R1.103 Cc1ccc(o1)N(C)CC(F)F d0dc2252a0f4426e5c64a58591188aa7 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.103 Cc1ccc(o1)N(C)C[C@H](C)O 096a62cc29a90a334d477579bc09cb3c [0,1,0,0,0,0|1,0,2]=4 286 B12R1.103 Cc1ccc(o1)[C@@H](C)NC(C)C a87b4273a4e25085a842f300c15478ad [0,1,0,0,0,0|2,0,1]=4 287 B12R1.103 Cc1cnc(o1)N(C)CC(=O)N 1f31334986906233548794f27aec6f02 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.103 Cc1cnc(s1)N(C)CC(=O)N 402f4ddb967199cf961e4fe160657eb7 [0,1,0,0,0,0|2,1,0]=4 289 B12R1.103 Cc1cnc(s1)N(C)CC(=O)O 407f76e2722d111878e6ce1e36d7e1b0 [0,1,0,0,0,0|2,1,0]=4 290 B12R1.103 Cc1coc(n1)N(C)CC(=O)N 0fb5c580254d9cdf8e60c10c222acfc0 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.103 Cc1csc(n1)N(C)CC(=O)N 4e5d06b4c5f5c3b6b1abb146a76df3f2 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.103 Cc1csc(n1)N(C)CC(=O)O b23d3d1362bc255009f05ba3d1b1641e [0,1,0,0,0,0|3,0,0]=4 293 B12R1.103 Cc1nc(cs1)N(C)CC(=O)N 7ab351f31ac5bde20c70d9c3521f4caf [0,1,0,0,0,0|3,0,0]=4 294 B12R1.103 Cc1ncc(s1)N(C)CC(=O)N 07776942d990aa7e2729271f75797a1c [0,1,0,0,0,0|2,1,0]=4 295 B12R1.103 Cc1nnc(o1)N(C)CC(=O)N dcd3053cc85c41d780f61416f23aa730 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.312 C=CCN(C)c1ccc(o1)C#N ee76f2e78bb9a153bbeb3f25036bd16e [0,1,0,0,0,0|2,0,1]=4 297 B12R1.312 C=CCN(C)c1ccc(o1)C=O 2450436bbe42b881ef6e28e4e8eda229 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.312 C=CCN(C)c1ccc(o1)CC 252f4bb577e3281ef2abdd264772db3a [0,1,0,0,0,0|2,0,0]=3 299 B12R1.312 C=CCN(C)c1ccc(o1)CO 1229936e28c7ec3326c4652bba213a7b [0,1,0,0,0,0|2,0,0]=3 300 B12R1.312 C=CCN(C)c1ccc(s1)CC 601372425d31d4859d31da05fb3a28e1 [0,1,0,0,0,0|2,1,0]=4 301 B12R1.312 C=CCN(C)c1ccc(s1)CO 024719881729a2c3f8e1617ee958201b [0,1,0,0,0,0|2,1,0]=4 302 B12R1.312 C=CCN(C)c1ccc(s1)SC ee6a287d34cc5abda41a95cf6a8560f1 [0,1,0,0,0,0|2,1,0]=4 303 B12R1.312 C=CCN(C)c1cnc(o1)CO 48256a85a753dd6679492b850fec077b [0,1,0,0,0,0|3,0,0]=4 304 B12R1.312 CCc1ccc(o1)N(C)CCO 59c933c5f117ab543c71243050b7dcd9 [0,1,0,0,0,0|1,0,2]=4 305 B12R1.312 CCc1nc(cs1)C(C)NC=O 5451a044149926cbc6b758434d97d1d8 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.312 CCn1ccc(n1)C(C)NC=O 69b1f1e379fe91e1bc45afcdb8dd8e69 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.312 CN(CCO)c1ccc(o1)CO 40377c6ed9baf9f70f370bc21e3957dd [0,1,0,0,0,0|1,0,2]=4 308 B12R1.313 C=CCN(C)c1oc(nc1C)C b8a8f16747a3717145ff6741484836be [0,1,0,0,0,0|3,0,0]=4 309 B12R1.314 C=CCN(C)c1cc(c(s1)C)C fd44d2d558a2c950c4e748eb7f8b5080 [0,1,0,0,0,0|2,1,0]=4 310 B12R1.314 C=CCN(C)c1nc(c(o1)C)C 25266ebc71cf52c6650cf275f82b3ba9 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.314 Cc1cc(nn1C)N(C)CC=O a74b8b32fb6218c49348da7ee3913220 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.314 Cc1nc(sc1Br)N(C)CC=O f5b4ee38c89217c5ccdfe105c3ff78a8 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.314 Cc1sc(nc1Br)N(C)CC=O 6c9dac3870aa58d43f34b1b314255a44 [0,1,0,0,0,0|2,1,0]=4 314 B10R0.108 C=CCC(C)COC(C)C=C 9997cd5dae1eed0dbc609e77885fd8f4 [0,0,1,0,0,0|1,0,2]=4 315 B10R0.108 C=CCC(C)CO[C@@H](C)C=C 00e9f1bbb93c516a12b7b6c00d61de36 [0,0,1,0,0,0|1,0,2]=4 316 B12R2.2299 Cc1ccc(o1)N(C)C2CC2 a30a13d4734b5ee8007433a4ca898479 [0,0,0,1,0,0|2,0,1]=4 317 B12R1.16 C=CCN(C)c1ccc(=O)oc1 86edd516c943267bb4b96d52ba2099b8 [0,0,0,0,0,1|3,0,0]=4 318 B12R1.16 C=CCN(C)c1ccc(cc1)C f5ade8376799a16a02cb89f83a85e6c0 [0,0,0,0,0,1|3,0,0]=4 319 B12R1.16 C=CCN(C)c1ccc(cn1)C dce62fa7af671d226c435757eb697565 [0,0,0,0,0,1|3,0,0]=4 320 B12R1.16 C=CCN(C)c1ccc(nc1)C 0655ed1c7a90bb5a19f932ee5dbaef8b [0,0,0,0,0,1|3,0,0]=4 321 B12R1.16 C=CCN(C)c1ccc(nn1)C a3623671220f500856004c4bb679fb3b [0,0,0,0,0,1|3,0,0]=4 322 B12R1.16 CC(NC=O)c1ccc(cc1)Br cec71a2e12deb71965cf35d5a231fc60 [0,0,0,0,0,1|3,0,0]=4 323 B12R1.16 CC(NC=O)c1ccc(cc1)Cl 62e65df99c635fd0849e029d2b9d82e7 [0,0,0,0,0,1|3,0,0]=4 324 B12R1.16 CC(NC=O)c1ccc(cc1)F 0f9fe39f998705faa24ec3c466127abc [0,0,0,0,0,1|3,0,0]=4 325 B12R1.16 CC(NC=O)c1ccc(cc1)I d1de771e1351186285cef45bafc743a8 [0,0,0,0,0,1|3,0,0]=4 326 B12R1.16 CC(NC=O)c1ccc(cc1)O 780ccb482900816d5583401c25a067a8 [0,0,0,0,0,1|3,0,0]=4 327 B12R1.16 CC(NC=O)c1ccc(cn1)Br 200e04d409b91aef6a35f4c91377fa44 [0,0,0,0,0,1|3,0,0]=4 328 B12R1.16 CC(NC=O)c1ccc(cn1)Cl cf264683ff6cd4c9ac6a256964ca4c06 [0,0,0,0,0,1|3,0,0]=4 329 B12R1.16 CC(NC=O)c1ccc(cn1)F 0c4dd7a316655eb2021c463eee4ccfcd [0,0,0,0,0,1|3,0,0]=4 330 B12R1.16 CC(NC=O)c1ccc(nc1)Br 8a0c316bc340ddf3a8d3ece011a4ba9a [0,0,0,0,0,1|3,0,0]=4 331 B12R1.16 CC(NC=O)c1ccc(nc1)Cl 0bcb123326e005e6b21c0a751b4bcaaf [0,0,0,0,0,1|3,0,0]=4 332 B12R1.16 CC(NC=O)c1ccc(nc1)F 4d23a925b85eeefd13744bcb79f9dcc6 [0,0,0,0,0,1|3,0,0]=4 333 B12R1.16 CN(CC=O)c1ccc(cc1)Br b2253658ebf9495bf3aa8a66ce8004e3 [0,0,0,0,0,1|3,0,0]=4 334 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 6f82cfc4c98b3d8f1fdea20562a0c1da [0,0,0,0,0,1|3,0,0]=4 335 B12R1.16 CN(CC=O)c1ccc(cc1)F 3dd0cfee2af7b819e09eac9c0710d924 [0,0,0,0,0,1|3,0,0]=4 336 B12R1.16 CN(CC=O)c1ccc(cc1)I f8ce3023c5b408882a0ecb66a733e0a5 [0,0,0,0,0,1|3,0,0]=4 337 B12R1.16 CN(CC=O)c1ccc(cc1)S 67c6f66320a72c9c50fce3815233c732 [0,0,0,0,0,1|3,0,0]=4 338 B12R1.16 CN(CC=O)c1ccc(cn1)Br 386d5664bb40c56f9074b05a3b2ff6ba [0,0,0,0,0,1|3,0,0]=4 339 B12R1.16 CN(CC=O)c1ccc(cn1)Cl 3d7cb56a02fd835b9a496cd39fc303e8 [0,0,0,0,0,1|3,0,0]=4 340 B12R1.16 CN(CC=O)c1ccc(cn1)F a2eb80400fb0150504db98e517fb2f95 [0,0,0,0,0,1|3,0,0]=4 341 B12R1.16 CN(CC=O)c1ccc(cn1)I 0c9525482ba4a38cf90c2236222a56da [0,0,0,0,0,1|3,0,0]=4 342 B12R1.16 CN(CC=O)c1ccc(nc1)Br 5342b507ff3a14c5d7e96daf8c9737f7 [0,0,0,0,0,1|3,0,0]=4 343 B12R1.16 CN(CC=O)c1ccc(nc1)Cl 8d7e844020a60edc6c73d02e9bba260c [0,0,0,0,0,1|3,0,0]=4 344 B12R1.16 CN(CC=O)c1ccc(nc1)F 1f4702479e0b6156515df9ab2f96b9b5 [0,0,0,0,0,1|3,0,0]=4 345 B12R1.16 CN(CC=O)c1ccc(nn1)Br 17110fea777627aaeaaa1ec5ddc03a13 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.16 CN(CC=O)c1ccc(nn1)Cl ae4b9750f5bd4d9d4b7b7f1e3b9acaaf [0,0,0,0,0,1|3,0,0]=4 347 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Br d8cd2d0f202e812d46c79a98bbb605a5 [0,0,0,0,0,1|3,0,0]=4 348 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Cl f8ea50f9bfe9365c99981d786edec9ea [0,0,0,0,0,1|3,0,0]=4 349 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)F 364ed9bf4d394113c9a722efda88774d [0,0,0,0,0,1|3,0,0]=4 350 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)I 6943534d6332bfef5b4540520bab5a4e [0,0,0,0,0,1|3,0,0]=4 351 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)O 8ddca235e244438dd47aa40b48c86cd2 [0,0,0,0,0,1|3,0,0]=4 352 B12R1.16 C[C@@H](NC=O)c1ccc(cn1)Br dc47eabdfd7216951309d1e979becd3f [0,0,0,0,0,1|3,0,0]=4 353 B12R1.16 C[C@@H](NC=O)c1ccc(nc1)Br 78a5752b849e55745b6cca4eb7a8f00c [0,0,0,0,0,1|3,0,0]=4 354 B12R1.16 C[C@@H](NC=O)c1ccc(nc1)Cl 8786e5e10623bbdf29c3d6183c0ab61a [0,0,0,0,0,1|3,0,0]=4 355 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Br 2b80ae29ecdd4076f4f5249ff743ea74 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Cl 6cedc228bdb04fde67af32200068cea2 [0,0,0,0,0,1|3,0,0]=4 357 B12R1.16 C[C@H](NC=O)c1ccc(cc1)F daf6ac4c823126d2fbb6db18061b56cc [0,0,0,0,0,1|3,0,0]=4 358 B12R1.16 C[C@H](NC=O)c1ccc(cc1)I 65b879518ec9b87f725b84c739a60426 [0,0,0,0,0,1|3,0,0]=4 359 B12R1.16 C[C@H](NC=O)c1ccc(cc1)O 89da72b6ae407036db86e3fe7542cc39 [0,0,0,0,0,1|3,0,0]=4 360 B12R1.16 C[C@H](NC=O)c1ccc(cn1)Br fab2a856bba62c3dd7fc180ec0cc71d0 [0,0,0,0,0,1|3,0,0]=4 361 B12R1.16 C[C@H](NC=O)c1ccc(cn1)Cl 89979af5327ffabac4b6398285ef72f0 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.16 C[C@H](NC=O)c1ccc(cn1)F 512aa49b04e9182a8e54fb40b06df43a [0,0,0,0,0,1|3,0,0]=4 363 B12R1.16 C[C@H](NC=O)c1ccc(nc1)Br 98aef9351ce3eb48b0f24717929a5814 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.16 C[C@H](NC=O)c1ccc(nc1)Cl c29d2e4261ddce124642f07a604ad6cc [0,0,0,0,0,1|3,0,0]=4 365 B12R1.16 Cc1ccc(cc1)C(C)NC=O 4445dae333f700acf8229460410d7a46 [0,0,0,0,0,1|2,0,0]=3 366 B12R1.16 Cc1ccc(cc1)N(C)CC=O f338b4b27d8d005a35695138d65e3bf4 [0,0,0,0,0,1|2,0,0]=3 367 B12R1.16 Cc1ccc(cc1)[C@@H](C)NC=O 5f78b07bded280584507dffb0d576dae [0,0,0,0,0,1|2,0,0]=3 368 B12R1.16 Cc1ccc(cc1)[C@H](C)NC=O ea7c4fbe59767ff43724e5251e9552d4 [0,0,0,0,0,1|2,0,0]=3 369 B12R1.16 Cc1ccc(cn1)C(C)NC=O 653023f91d09fa48c6e281d6eb4be5b1 [0,0,0,0,0,1|2,0,0]=3 370 B12R1.16 Cc1ccc(cn1)N(C)CC=O 6e4889d4296bfca82c27f9f1fe67c24b [0,0,0,0,0,1|2,0,0]=3 371 B12R1.16 Cc1ccc(cn1)[C@@H](C)NC=O b9358481bb5f8026a1babcd79b8a7e0a [0,0,0,0,0,1|2,0,0]=3 372 B12R1.16 Cc1ccc(cn1)[C@H](C)NC=O c8f434e29f0ecadf2869c487353bbf9a [0,0,0,0,0,1|2,0,0]=3 373 B12R1.16 Cc1ccc(nc1)C(C)NC=O 762cc2c42d6edc7c6fce354b2af8a9bd [0,0,0,0,0,1|2,0,0]=3 374 B12R1.16 Cc1ccc(nc1)N(C)CC=O 3af6ab291f599c0e9da2552b95ff28d7 [0,0,0,0,0,1|2,0,0]=3 375 B12R1.16 Cc1ccc(nc1)[C@@H](C)NC=O 77969a4823596ea7baa6f55b4a737081 [0,0,0,0,0,1|2,0,0]=3 376 B12R1.16 Cc1cnc(cn1)N(C)CC=O 7fd9155595a0ecd7880eab92bc36ee9b [0,0,0,0,0,1|3,0,0]=4 377 B12R1.16 Cc1cnc(nc1)C(C)NC=O 3f77ec5d9113881942f3d477a805cac8 [0,0,0,0,0,1|3,0,0]=4 378 B12R1.16 Cc1cnc(nc1)N(C)CC=O 518381578196ad1d531c6136137434d4 [0,0,0,0,0,1|3,0,0]=4 379 B12R1.16 Cc1cnc(nc1)[C@H](C)NC=O fcf5ca6a5a51fb86fd0f7c07e7cf3328 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.17 C=CCN(C)c1cc(ccn1)C 67e5d13b9a4e05cd64f7c7e6b537b93b [0,0,0,0,0,1|3,0,0]=4 381 B12R1.17 C=CCN(C)c1cccc(c1)C 82493503f7868e233a8e1c13e06aa26f [0,0,0,0,0,1|3,0,0]=4 382 B12R1.17 C=CCN(C)c1cccc(n1)C 59679b2dea81d980796b8817f371602f [0,0,0,0,0,1|3,0,0]=4 383 B12R1.17 C=CCN(C)c1ccnc(c1)C 84bcab631a9055c44e3a3813732fe7d2 [0,0,0,0,0,1|3,0,0]=4 384 B12R1.17 C=CCN(C)c1ccnc(n1)C 309475984482e4476f147b83ad22ab07 [0,0,0,0,0,1|3,0,0]=4 385 B12R1.17 C=CCN(C)c1cncc(c1)C e66c1f8312d8adf6cb5d9edd34b0639a [0,0,0,0,0,1|3,0,0]=4 386 B12R1.17 C=CCN(C)c1cncc(n1)C 1e8c0d908848a33d0d673e01fb1457a4 [0,0,0,0,0,1|3,0,0]=4 387 B12R1.17 C=CCN(C)c1nccc(n1)C 9ef43003e8839c2bcf745007f8237707 [0,0,0,0,0,1|3,0,0]=4 388 B12R1.17 CC(NC=O)c1cc(ccn1)Cl f0731fa8ba3d2fffb291478b42ff5d34 [0,0,0,0,0,1|3,0,0]=4 389 B12R1.17 CC(NC=O)c1cccc(c1)Br 097d75d4e414cf41a004bcc82a8470d6 [0,0,0,0,0,1|3,0,0]=4 390 B12R1.17 CC(NC=O)c1cccc(c1)Cl d77dc28070cdddd314b9cb5faee6a2da [0,0,0,0,0,1|3,0,0]=4 391 B12R1.17 CC(NC=O)c1cccc(c1)F b0d58d69768f99597ae969e0072a905b [0,0,0,0,0,1|3,0,0]=4 392 B12R1.17 CC(NC=O)c1cccc(c1)O 2c8a8b6d99b918ad5a3f4b13f5fefc68 [0,0,0,0,0,1|3,0,0]=4 393 B12R1.17 CC(NC=O)c1cccc(n1)Br 66f42c7e89781e84bb5689fcf06b8092 [0,0,0,0,0,1|3,0,0]=4 394 B12R1.17 CC(NC=O)c1cccc(n1)Cl a184b0641e69b3c1033c0f6bd0cbacab [0,0,0,0,0,1|3,0,0]=4 395 B12R1.17 CC(NC=O)c1cccc(n1)F 4e023cba2a4cffb9cceec21393fd8d58 [0,0,0,0,0,1|3,0,0]=4 396 B12R1.17 CC(NC=O)c1ccnc(c1)O 357e406eca524a2ba142102f72de5344 [0,0,0,0,0,1|3,0,0]=4 397 B12R1.17 CC(NC=O)c1cncc(c1)F 22b1dba5280af1864c6e146e3439c1f3 [0,0,0,0,0,1|3,0,0]=4 398 B12R1.17 CN(CC=O)c1cc(ccn1)Br 1c011db48da8ede8959765dd056e4dd2 [0,0,0,0,0,1|3,0,0]=4 399 B12R1.17 CN(CC=O)c1cc(ccn1)Cl 9d02bd0dd236276eb6d71a2b68a0b697 [0,0,0,0,0,1|3,0,0]=4 400 B12R1.17 CN(CC=O)c1cc(ccn1)F aba4337275b1e8ce3b6936f85b275595 [0,0,0,0,0,1|3,0,0]=4 401 B12R1.17 CN(CC=O)c1cc(ccn1)I e819ab6e8009fa33fb93dfbc6241df8e [0,0,0,0,0,1|3,0,0]=4 402 B12R1.17 CN(CC=O)c1cccc(c1)Br 6db038b0abc52891849cdfa23da9524d [0,0,0,0,0,1|3,0,0]=4 403 B12R1.17 CN(CC=O)c1cccc(c1)Cl 80cca0a463dc60d932fa8da323377a65 [0,0,0,0,0,1|3,0,0]=4 404 B12R1.17 CN(CC=O)c1cccc(c1)F e2880487ef33602948b78c5deaf912ac [0,0,0,0,0,1|3,0,0]=4 405 B12R1.17 CN(CC=O)c1cccc(c1)I 06861d7736167c00077e2ca78d0f942d [0,0,0,0,0,1|3,0,0]=4 406 B12R1.17 CN(CC=O)c1cccc(n1)Br aa0d04f5ce3ea448a7f36ae753d3a27d [0,0,0,0,0,1|3,0,0]=4 407 B12R1.17 CN(CC=O)c1cccc(n1)Cl 203d0724e63f3a1caa1ee56fd3f1029c [0,0,0,0,0,1|3,0,0]=4 408 B12R1.17 CN(CC=O)c1cccc(n1)F 3aae7947cd97ad09d446ab045172f6f2 [0,0,0,0,0,1|3,0,0]=4 409 B12R1.17 CN(CC=O)c1ccnc(=O)[nH]1 209a8b9d03d4d57c2593593fd7551542 [0,0,0,0,0,1|3,0,0]=4 410 B12R1.17 CN(CC=O)c1ccnc(c1)Br 73a774fbed67ee2de2683004467e06f3 [0,0,0,0,0,1|3,0,0]=4 411 B12R1.17 CN(CC=O)c1ccnc(c1)Cl 69d33d8c479aa73dc692578b9cebf4c3 [0,0,0,0,0,1|3,0,0]=4 412 B12R1.17 CN(CC=O)c1ccnc(c1)F 9ebab692d8dcd357b13ca22d004ab94e [0,0,0,0,0,1|3,0,0]=4 413 B12R1.17 CN(CC=O)c1ccnc(n1)Br f867e98399f9fc9331f84776d066fae8 [0,0,0,0,0,1|3,0,0]=4 414 B12R1.17 CN(CC=O)c1ccnc(n1)Cl 9fd2a53cb50793ea72e044d95e304eeb [0,0,0,0,0,1|3,0,0]=4 415 B12R1.17 CN(CC=O)c1cncc(c1)Br ffcbd224abdf319666f027e83e4606a7 [0,0,0,0,0,1|3,0,0]=4 416 B12R1.17 CN(CC=O)c1cncc(n1)Br 37d777a5d4646f775a56fc700942b847 [0,0,0,0,0,1|3,0,0]=4 417 B12R1.17 CN(CC=O)c1cncc(n1)Cl 61590811c1b0ad8cc2c11c141ec3df74 [0,0,0,0,0,1|3,0,0]=4 418 B12R1.17 CN(CC=O)c1nccc(n1)Br e073336822474c8267d4af2c527a2882 [0,0,0,0,0,1|3,0,0]=4 419 B12R1.17 CN(CC=O)c1nccc(n1)Cl 306cf25a674311e7a1a71c3abbd1fa83 [0,0,0,0,0,1|3,0,0]=4 420 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Br a183672b7c61cc3a3878e0c98ffa9d85 [0,0,0,0,0,1|3,0,0]=4 421 B12R1.17 C[C@@H](NC=O)c1cccc(c1)Cl 8e52f0b299c9ead061d7fa130456a44a [0,0,0,0,0,1|3,0,0]=4 422 B12R1.17 C[C@@H](NC=O)c1cccc(c1)F a7562fcb2b9d022817fc067b9234eb27 [0,0,0,0,0,1|3,0,0]=4 423 B12R1.17 C[C@@H](NC=O)c1cccc(c1)O bb164cc9a9d0db21437c3f39f1bc5b59 [0,0,0,0,0,1|3,0,0]=4 424 B12R1.17 C[C@@H](NC=O)c1cccc(n1)Br 95fd475e4ec17dd16c7ff03df2bd0c51 [0,0,0,0,0,1|3,0,0]=4 425 B12R1.17 C[C@@H](NC=O)c1ccnc(c1)Br 6a6a9bb04ea4836790b5c841304fcb3d [0,0,0,0,0,1|3,0,0]=4 426 B12R1.17 C[C@@H](NC=O)c1ccnc(c1)Cl b32d9fdd8dde30e83f7b2f72d76cf862 [0,0,0,0,0,1|3,0,0]=4 427 B12R1.17 C[C@@H](NC=O)c1cncc(c1)Cl 1b3500c146f21fc47fdc5157d6d97382 [0,0,0,0,0,1|3,0,0]=4 428 B12R1.17 C[C@H](NC=O)c1cccc(c1)Br d855ef663fb29eb5f3bb7898b524d921 [0,0,0,0,0,1|3,0,0]=4 429 B12R1.17 C[C@H](NC=O)c1cccc(c1)Cl 7cef89c5bd4340a2172d87ccc457214c [0,0,0,0,0,1|3,0,0]=4 430 B12R1.17 C[C@H](NC=O)c1cccc(c1)F a38e9085a53bff285f5340550e2da66c [0,0,0,0,0,1|3,0,0]=4 431 B12R1.17 C[C@H](NC=O)c1cccc(c1)I 3a8b5f517440b8ad1ced902a5448d32a [0,0,0,0,0,1|3,0,0]=4 432 B12R1.17 C[C@H](NC=O)c1cccc(c1)O ac64b60170e17222c81c7148f30e63e8 [0,0,0,0,0,1|3,0,0]=4 433 B12R1.17 C[C@H](NC=O)c1cccc(n1)Br 85ef39cf3a50bbbef244d6e92196f400 [0,0,0,0,0,1|3,0,0]=4 434 B12R1.17 C[C@H](NC=O)c1ccnc(c1)Cl f65a38470ea6277c16fd4bdd5b4343ab [0,0,0,0,0,1|3,0,0]=4 435 B12R1.17 C[C@H](NC=O)c1cncc(c1)Cl 4ad26769305a058e148778787507f3e5 [0,0,0,0,0,1|3,0,0]=4 436 B12R1.17 C[C@H](NC=O)c1cncc(c1)F 15174d6417cda224ee60901babd69a5a [0,0,0,0,0,1|3,0,0]=4 437 B12R1.17 Cc1cc(ccn1)C(C)NC=O a806cd3cbe694820503ea75960ef7c49 [0,0,0,0,0,1|2,0,0]=3 438 B12R1.17 Cc1cc(ccn1)[C@@H](C)NC=O a324453925a19a21ed51fb99002a11c2 [0,0,0,0,0,1|2,0,0]=3 439 B12R1.17 Cc1cc(ccn1)[C@H](C)NC=O 2510c468024c552838575a22824c7d36 [0,0,0,0,0,1|2,0,0]=3 440 B12R1.17 Cc1cccc(c1)C(C)NC=O 9c68d6a0cf8e9d8618e1113f06ecf91a [0,0,0,0,0,1|2,0,0]=3 441 B12R1.17 Cc1cccc(c1)N(C)CC=O fbf6a6e22784a7c92b503de5c31a1c8f [0,0,0,0,0,1|2,0,0]=3 442 B12R1.17 Cc1cccc(c1)[C@@H](C)NC=O da8a6aa98c97a59af144d47673921011 [0,0,0,0,0,1|2,0,0]=3 443 B12R1.17 Cc1cccc(c1)[C@H](C)NC=O 658f60e6193e2ff5526a80211a62dc8e [0,0,0,0,0,1|2,0,0]=3 444 B12R1.17 Cc1cccc(n1)C(C)NC=O 6f22f77c70ea5f132430d230b6b171df [0,0,0,0,0,1|2,0,0]=3 445 B12R1.17 Cc1cccc(n1)N(C)CC=O 23d2183afde9e43c3569c102e6be7a50 [0,0,0,0,0,1|2,0,0]=3 446 B12R1.17 Cc1cccc(n1)[C@H](C)NC=O c02aa9c9f30de0cf33b8c4c905989fae [0,0,0,0,0,1|2,0,0]=3 447 B12R1.17 Cc1ccnc(c1)C(C)NC=O 5f5abf979de819ff3e83e6ae4ea9ee8e [0,0,0,0,0,1|2,0,0]=3 448 B12R1.17 Cc1ccnc(c1)N(C)CC=O 9b37ce7c6b2e8052357019527816b960 [0,0,0,0,0,1|2,0,0]=3 449 B12R1.17 Cc1ccnc(n1)N(C)CC=O 6d9af87d95b0578a7214761e4554b57c [0,0,0,0,0,1|2,0,0]=3 450 B12R1.17 Cc1cncc(c1)N(C)CC=O 9bd83a82424efa7bd249c4904f760053 [0,0,0,0,0,1|2,0,0]=3 451 B12R1.17 Cc1cncc(n1)N(C)CC=O f416c5f66b9fc3bdb2f554f544e2c1f0 [0,0,0,0,0,1|2,0,0]=3 452 B12R1.31 C#CCN(C)Cc1ccc(o1)C 2cdc649384182a6fdbd9e5e3924cc0f2 [0,0,0,0,0,1|2,0,1]=4 453 B12R1.31 C=CCN(C)Cc1ccc(o1)C 71b46b1c0fe7da14c5a05e346efe9c02 [0,0,0,0,0,1|2,0,0]=3 454 B12R1.31 C=CCN(C)Cc1ccc(s1)C 406ddc43c95405ea357e9f2a14b61863 [0,0,0,0,0,1|2,1,0]=4 455 B12R1.31 C=CCN(C)Cc1cnc(o1)C f30e8533da713cad747f9ff0e54f6869 [0,0,0,0,0,1|3,0,0]=4 456 B12R1.31 C=CCN(C)Cc1ncc(o1)C e488b39c83e04f4262b09abb5b48eff7 [0,0,0,0,0,1|3,0,0]=4 457 B12R1.31 CCCC(C)Nc1cnc(o1)C 1e918cfbc1cdce7e8c40a243a4ded6eb [0,0,0,0,0,1|2,0,1]=4 458 B12R1.31 CCCC(C)Nc1ncc(o1)C f6ac0e392e1bd98a105fc36aef069667 [0,0,0,0,0,1|2,0,1]=4 459 B12R1.31 CCCN(C)Cc1ccc(o1)C 15839253981b42133ad7172de1d73924 [0,0,0,0,0,1|2,0,1]=4 460 B12R1.31 CN(CC=O)Cc1ccc(s1)Br 2786f2680dc78d6fe753c54d2a303cd7 [0,0,0,0,0,1|2,1,0]=4 461 B12R1.31 CN(CC=O)Cc1ccc(s1)Cl a38260cbcccf70d7615a36503d1e0dbd [0,0,0,0,0,1|2,1,0]=4 462 B12R1.31 CN(CC=O)Cc1ccn(n1)C 20bd5250cfe7cf51c806d94db3045446 [0,0,0,0,0,1|3,0,0]=4 463 B12R1.31 COCC(C)Nc1ccc(o1)C 2017a70607dae0f37d839299e3db71c9 [0,0,0,0,0,1|2,0,0]=3 464 B12R1.31 COCC(C)Nc1ccc(s1)C 8817aa0df2f40fed2de55059d2c8c2c5 [0,0,0,0,0,1|2,1,0]=4 465 B12R1.31 COCC(C)Nc1cnc(o1)C 17c0c532a8593788ccb636b374a613a9 [0,0,0,0,0,1|3,0,0]=4 466 B12R1.31 COCC(C)Nc1ncc(o1)C 15dfc1d07702490cc7f385a7fca3f7c1 [0,0,0,0,0,1|3,0,0]=4 467 B12R1.31 COCN(C)Cc1ccc(o1)C 523fd371d70bc38d0da278743fc566af [0,0,0,0,0,1|3,0,0]=4 468 B12R1.31 COC[C@@H](C)Nc1ccc(o1)C 2c9ddd62773b065d6c231713c3b4ec27 [0,0,0,0,0,1|2,0,0]=3 469 B12R1.31 COC[C@H](C)Nc1ccc(o1)C c314fb2e1343d33c05b87a35e2391608 [0,0,0,0,0,1|2,0,0]=3 470 B12R1.31 CSCN(C)Cc1ccc(o1)C adbffcaf3ee128cdf605590f1e46af10 [0,0,0,0,0,1|3,0,0]=4 471 B12R1.31 Cc1ccc(o1)CN(C)CC#N 2c04ccd74cbe6bb95013df1ac40bcc79 [0,0,0,0,0,1|2,0,1]=4 472 B12R1.31 Cc1ccc(o1)CN(C)CC=O 731ce612577d0c5e6d68c11b1dec0e72 [0,0,0,0,0,1|1,0,0]=2 473 B12R1.31 Cc1ccc(o1)CN(C)CCF e8bfd8c31da1a3c54dda8fdc1a2b1400 [0,0,0,0,0,1|2,0,1]=4 474 B12R1.31 Cc1ccc(o1)CN(C)CCO 9e0f9a4961d62cd8c166e5e2c1a2be9b [0,0,0,0,0,1|1,0,2]=4 475 B12R1.31 Cc1ccc(o1)CN(C)CCS 84b17be0a6821374e6e80135eda42460 [0,0,0,0,0,1|1,1,1]=4 476 B12R1.31 Cc1ccc(o1)NC(C)CCO 346b5913161038f1c8f5387e28bc1cea [0,0,0,0,0,1|0,0,2]=3 477 B12R1.31 Cc1ccc(o1)N[C@@H](C)CCO 3c37b02c179350a44f8aa3b63024930e [0,0,0,0,0,1|0,0,2]=3 478 B12R1.31 Cc1ccc(o1)N[C@H](C)CCO 2904b170de1b9384df48ccf08ab53ab6 [0,0,0,0,0,1|0,0,2]=3 479 B12R1.31 Cc1ccc(s1)CN(C)CC=O 26462dddb423d96ec0746f4fd87bce57 [0,0,0,0,0,1|1,1,0]=3 480 B12R1.31 Cc1ccc(s1)NC(=O)CC=O 2f579d47212c97383d40cd121d8d629e [0,0,0,0,0,1|1,1,1]=4 481 B12R1.31 Cc1ccc(s1)NC(C)CC#N b9bbd50019d73b8ae61eb73e601e209a [0,0,0,0,0,1|1,1,1]=4 482 B12R1.31 Cc1ccc(s1)NC(C)CCO 9935c02657d4a84be9102086734dbe7e [0,0,0,0,0,1|0,1,2]=4 483 B12R1.31 Cc1ccn(n1)CC(C)NC=O b56ed0f07dc1b953c5b0c53ba725976a [0,0,0,0,0,1|3,0,0]=4 484 B12R1.31 Cc1cnc(o1)NC(=O)CC=O c01eeffe8614011fba72425794b85526 [0,0,0,0,0,1|2,0,1]=4 485 B12R1.31 Cc1cnc(o1)NC(C)CC#N 01c1c16376a0bf38e3432806a3607fa1 [0,0,0,0,0,1|2,0,1]=4 486 B12R1.31 Cc1cnc(o1)NC(C)CCO 6a92e4732b86f53eef1db0c8784ef30f [0,0,0,0,0,1|1,0,2]=4 487 B12R1.31 Cc1cnc(s1)CN(C)CC=O 651cd3c324d537a5dc3cd33ff65781d1 [0,0,0,0,0,1|2,1,0]=4 488 B12R1.31 Cc1csc(c1)CN(C)CC=O 96b434692e3ee98d5e305d7e72f2540b [0,0,0,0,0,1|3,0,0]=4 489 B12R1.31 Cc1nc(cs1)CN(C)CC=O 01f68f853cf6cc2d953d5127e9fd2c1c [0,0,0,0,0,1|3,0,0]=4 490 B12R1.31 Cc1ncc(o1)NC(=O)CC=O 1d86ffab23a86d873b036d31c34b43e7 [0,0,0,0,0,1|2,0,1]=4 491 B12R1.31 Cc1ncc(o1)NC(C)CCO df2221dce5d7692f4a604ca0cb08ed4b [0,0,0,0,0,1|1,0,2]=4 492 B12R1.31 Cc1nnc(o1)CN(C)CC=O 66c39e7c89eb744c16b786101d9098c9 [0,0,0,0,0,1|3,0,0]=4 493 B9R0.46 C=CC(C)OCCCC=O e3fac3a438be00548cf06e77a9a3cc0f [1,0,1,0,0,0|0,0,2]=4 494 B9R0.46 C=C[C@H](C)OCCCC=O 7cce1b7c183177af9aa0a9f34aff0343 [1,0,1,0,0,0|0,0,2]=4 495 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [2,0,0,0,0,0|2,0,0]=4 496 B9R1.12 C=CCOc1ccco1 718f2f5554bee89c19d4febc6556b9e4 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.12 O=CCNc1cccs1 60a129f7ce0ed47960cff2a58ff45c1c [2,0,0,0,0,0|1,1,0]=4 498 B9R1.12 O=CCNc1ccno1 d89beb34e7299bb5546d81c088f021b3 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.12 O=CCNc1ncco1 a903c622426cd77e9fe9761a3cc7b9bd [2,0,0,0,0,0|2,0,0]=4 500 B9R1.12 O=CCOc1ccco1 1e74f64104a9bfe1c6a709b4cd3c3941 [2,0,0,0,0,0|1,0,0]=3 501 B9R1.12 O=CCOc1cccs1 8bfa681cbb01e0a1759e3c960c15aeb1 [2,0,0,0,0,0|1,1,0]=4 502 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [2,0,0,0,0,0|1,0,0]=3 503 B9R1.12 O=CNCc1cccs1 fecfb8c88f46a0100ee636a1638f8376 [2,0,0,0,0,0|1,1,0]=4 504 B9R1.12 O=CNCc1ccno1 1d96e0438d070b6a30ebeea53435d039 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.12 O=CNCc1cnco1 ee7ea837847f21c2df5abd28f3d73bda [2,0,0,0,0,0|2,0,0]=4 506 B9R1.12 O=CNCc1ncco1 ae229f156f358694ec9fa8df5fdba020 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.7 Cc1ccc(s1)NC=O 745d01ed2a45b7ddb9d308ef71450e7f [2,0,0,0,0,0|1,1,0]=4 508 B9R1.7 Cc1cnc(o1)NC=O cfd6ebc730ca2ded602ff2e8f15b7668 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.7 Cc1ncc(o1)NC=O 594291c6d8efef3a72f3614adbbcb38d [2,0,0,0,0,0|2,0,0]=4 510 B11R1.2 CCC(NC=O)c1ccco1 3a0ea364dff92e54acb23f8aafd7790c [1,1,0,0,0,0|1,0,0]=3 511 B11R1.2 CCC(NC=O)c1cccs1 4619968d1ad7911654c874b0696a6526 [1,1,0,0,0,0|1,1,0]=4 512 B11R1.29 C#CCNC(C)c1ccco1 2f23b5a17464894a2333c3ccbd962f51 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.29 C#CCN[C@H](C)c1ccco1 c542a42fb3a169e91dd7cdea6b93fc3c [1,1,0,0,0,0|1,0,1]=4 514 B11R1.29 C#CCOC(C)c1ccco1 79e7f0e1ec3f5deb8e15c5037cf10bcb [1,1,0,0,0,0|1,0,1]=4 515 B11R1.29 C#CCO[C@H](C)c1ccco1 590a2e5a273e557b2c4cd8bdcf099c87 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.29 C=CCNC(C)c1ccco1 6292665a2c579f9ac6e7880c8e36734b [1,1,0,0,0,0|1,0,0]=3 517 B11R1.29 C=CCNC(C)c1cccs1 f22ddbefe2aea7cde746cb57d71da3ef [1,1,0,0,0,0|1,1,0]=4 518 B11R1.29 C=CCNC(C)c1ncco1 442cb9cecae82167f52e88f73b61eede [1,1,0,0,0,0|2,0,0]=4 519 B11R1.29 C=CCN[C@@H](C)c1cccs1 e514a111f25cdb86524bc84c09cc6ffa [1,1,0,0,0,0|1,1,0]=4 520 B11R1.29 C=CCN[C@H](C)c1ccco1 cf5a973c46acda6a5ed1f2d99c123c15 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.29 C=CCN[C@H](C)c1cccs1 2a3823d0169aae2ded8937d4a28ba145 [1,1,0,0,0,0|1,1,0]=4 522 B11R1.29 C=CCOC(C)c1ccco1 ff803ec402f7b75d6a4ba22a9387846f [1,1,0,0,0,0|1,0,0]=3 523 B11R1.29 C=CCOC(C)c1cccs1 737612bf54e5b5d09dc41cc2336674eb [1,1,0,0,0,0|1,1,0]=4 524 B11R1.29 C=CCO[C@@H](C)c1cccs1 d748d7ebe38267f5330b922f2cf878e2 [1,1,0,0,0,0|1,1,0]=4 525 B11R1.29 C=CCO[C@H](C)c1ccco1 a1795675523d618eddea2e5106c540b3 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.29 C=CCO[C@H](C)c1cccs1 0f891e0cf164c03e1b1ab0f8987445cf [1,1,0,0,0,0|1,1,0]=4 527 B11R1.29 CC(CNC=O)n1cccn1 7f18b1977d8377b7d0da37c38004cf30 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.29 CC(NCC#N)c1ccco1 5788f4f586aafbfc5710770dfb229a92 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.29 CC(NCC=O)c1cc[nH]n1 b277fae237ad4aedb84d12fc7a389c98 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.29 CC(NCC=O)c1ccco1 0e1e5093d955a35b015ca7d7478c2677 [1,1,0,0,0,0|0,0,0]=2 531 B11R1.29 CC(NCC=O)c1cccs1 c3b533f89fee80114d631ff64d2a81ef [1,1,0,0,0,0|0,1,0]=3 532 B11R1.29 CC(NCC=O)c1ccoc1 0666d2a7d494a2be34e8ed49ddfb5f77 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.29 CC(NCC=O)c1ccon1 23990ee2f67805d75be6ccbfa3cd1611 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.29 CC(NCC=O)c1ccsc1 c01393f95f09f65759662875c44f4c05 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.29 CC(NCC=O)c1cncs1 8aa8f8b1b67b04439320a476cd423d87 [1,1,0,0,0,0|1,1,0]=4 536 B11R1.29 CC(NCC=O)c1cscn1 109dff895256f20b6ac18e4c1d22e64e [1,1,0,0,0,0|2,0,0]=4 537 B11R1.29 CC(NCC=O)c1ncco1 a55be7bbd4939cf7c546a66c786bea6e [1,1,0,0,0,0|1,0,0]=3 538 B11R1.29 CC(NCC=O)c1nccs1 e0054283662f9cc083e494d6c1bc0151 [1,1,0,0,0,0|1,1,0]=4 539 B11R1.29 CC(NCC=O)c1nnco1 e7cd09fac199452d07302e1b8e7f3d64 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.29 CC(NCCF)c1ccco1 2a9add295a7376e24c0060f240d02c67 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.29 CC(NCCO)c1ccco1 69d6c02ba83682b3efb129f6090de12a [1,1,0,0,0,0|0,0,2]=4 542 B11R1.29 CC(NCCS)c1ccco1 df42ebe1a40d40339012260e8818d33d [1,1,0,0,0,0|0,1,1]=4 543 B11R1.29 CC(OCC#N)c1ccco1 75a300ae3f71fb341722ad75d0a00136 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.29 CC(OCC=O)c1cc[nH]n1 1abad634217f0b464ae3b6a292735406 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.29 CC(OCC=O)c1ccco1 2859252ddbb59c60ccf7b6e831653341 [1,1,0,0,0,0|0,0,0]=2 546 B11R1.29 CC(OCC=O)c1cccs1 fc8c883e99ce134e15b60a4bf60e4513 [1,1,0,0,0,0|0,1,0]=3 547 B11R1.29 CC(OCC=O)c1ccoc1 29f55d8b3dbcf8c80179610dc2f851dc [1,1,0,0,0,0|2,0,0]=4 548 B11R1.29 CC(OCC=O)c1ccsc1 7f489c70030d92b4dfdb4aa9070a68b3 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.29 CC(OCC=O)c1cncs1 9960d0debf752b0c079e06c72dc98e20 [1,1,0,0,0,0|1,1,0]=4 550 B11R1.29 CC(OCC=O)c1ncc[nH]1 b7ea8ea2858c300af898d22222c23ebc [1,1,0,0,0,0|2,0,0]=4 551 B11R1.29 CC(OCC=O)c1ncco1 6faabb84ba92c953bda51782978e80d1 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.29 CC(OCC=O)c1nccs1 2c394a43bdd1e1346763f10346cc2220 [1,1,0,0,0,0|1,1,0]=4 553 B11R1.29 CC(OCCF)c1ccco1 10f0dddbbecb7a4fa1347c04a154b2d6 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.29 CC(OCCS)c1ccco1 f4004cbc673a5ac19c3887f2e1bfe5ec [1,1,0,0,0,0|0,1,1]=4 555 B11R1.29 CCCNC(C)c1ccco1 7e86f1ea622a23860ffb4a628b926f5c [1,1,0,0,0,0|1,0,1]=4 556 B11R1.29 CCCN[C@H](C)c1ccco1 842b31baf27b8ee70706649ada8ebef1 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.29 CCCOC(C)c1ccco1 0c8192b3fce9fa8d97db205912c0cbc9 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.29 CCCO[C@H](C)c1ccco1 8a90bd4017346c35e1595975c1908a98 [1,1,0,0,0,0|1,0,1]=4 559 B11R1.29 CN(CCC=O)c1ncco1 6ee5394b4b77e9724088397eadf17f9a [1,1,0,0,0,0|2,0,0]=4 560 B11R1.29 COCNC(C)c1ccco1 32057decc3fed592a6e76a815459ddd1 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.29 COCN[C@H](C)c1ccco1 be4dcc2f7ba04d40894497417b536ba9 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.29 C[C@@H](NCC#N)c1ccco1 f9211571aab8f41d2c8c413629315d0a [1,1,0,0,0,0|1,0,1]=4 565 B11R1.29 C[C@@H](NCC=O)c1ccco1 ebe7825b8377cd14ca66ed9d1bf50ad5 [1,1,0,0,0,0|0,0,0]=2 566 B11R1.29 C[C@@H](NCC=O)c1cccs1 a6079db1f193b74e2d1353f03805bc32 [1,1,0,0,0,0|0,1,0]=3 567 B11R1.29 C[C@@H](NCCF)c1ccco1 99d0b04c2de0233367755b8adb89391f [1,1,0,0,0,0|1,0,1]=4 568 B11R1.29 C[C@@H](NCCO)c1ccco1 a92e6290682e4a9cd9e77fa1613f2146 [1,1,0,0,0,0|0,0,2]=4 569 B11R1.29 C[C@@H](NCCS)c1ccco1 db60d68a1e1cf43e7b3d7c9ce11cc2eb [1,1,0,0,0,0|0,1,1]=4 570 B11R1.29 C[C@@H](OCC#N)c1ccco1 0081d063dab219e4fcb0b883751e1a0b [1,1,0,0,0,0|1,0,1]=4 571 B11R1.29 C[C@@H](OCC=O)c1ccco1 8fbb243121b95f54b54f196c652a89bc [1,1,0,0,0,0|0,0,0]=2 572 B11R1.29 C[C@@H](OCC=O)c1cccs1 a966c43a54bab2887e5cd95e92205071 [1,1,0,0,0,0|0,1,0]=3 573 B11R1.29 C[C@@H](OCC=O)c1nccs1 595a5a4faa561f967fbc9c5a34ab0b07 [1,1,0,0,0,0|1,1,0]=4 574 B11R1.29 C[C@@H](OCCF)c1ccco1 f4d7d8c9ded12605d9a55c2d221894a1 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.29 C[C@@H](OCCS)c1ccco1 41565a4abc9e21b37ab8da4b94e920fb [1,1,0,0,0,0|0,1,1]=4 576 B11R1.29 C[C@H](NCC=O)c1cccs1 a7d099a0c178d2f28e5fa385a780a97c [1,1,0,0,0,0|0,1,0]=3 577 B11R1.29 C[C@H](NCC=O)c1ccoc1 5cc17edcbd2d0191ba3f259e833fd447 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.29 C[C@H](NCC=O)c1ccsc1 d1dd735025d74f5eaa306904865f56b1 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.29 C[C@H](NCC=O)c1cncs1 52b1e378ecb7618166535d83703ea0fa [1,1,0,0,0,0|1,1,0]=4 580 B11R1.29 C[C@H](NCC=O)c1nccs1 392baf6a64090f468ca4adb46482e33f [1,1,0,0,0,0|1,1,0]=4 581 B11R1.29 C[C@H](OCC=O)c1cccs1 09126f7f03d8e105e8a6a8904be4f0de [1,1,0,0,0,0|0,1,0]=3 582 B11R1.29 C[C@H](OCC=O)c1nccs1 331691befd8b6f5a80673898b6f820c4 [1,1,0,0,0,0|1,1,0]=4 583 B11R1.29 O=CNCC(O)c1ccco1 6bc0d1377efb6eaf73117839a38c77b5 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.29 O=CNCC(O)c1cccs1 9875a03e15a5e7655b6105fa64131dec [1,1,0,0,0,0|1,1,0]=4 585 B11R1.31 CC(C=O)N(C)c1ncco1 39457bd44c45f813bf54e49e0d0997ad [1,1,0,0,0,0|2,0,0]=4 586 B11R1.31 CC(c1cccs1)N(C)C=O a725bbac62ecb1434b8facdf22823ee8 [1,1,0,0,0,0|1,1,0]=4 587 B11R1.31 C[C@H](C=O)N(C)c1ncco1 cbd5dfeea6a0a7a0e909029a0564b44d [1,1,0,0,0,0|2,0,0]=4 588 B11R1.33 CC(C)(NC=O)c1cccs1 7082e3ff0be3c45ab9afcc4704a57f55 [1,1,0,0,0,0|1,1,0]=4 589 B11R1.77 CC(=O)NC(C)c1ccco1 c1f414cbe29927a43c5ea82bc1066b08 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.77 CC(=O)NC(C)c1cccs1 e7ae72928c15ab3e748d7e1c8cf72906 [1,1,0,0,0,0|1,1,0]=4 591 B11R1.77 CC(=O)NC(C)c1ncco1 fd525221588f8253603eb6525149d065 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 b818cd586259681e42d14261ef748959 [1,1,0,0,0,0|1,1,0]=4 593 B11R1.77 CC(=O)N[C@H](C)c1ccco1 b21b5fa102dd5d98ec9d9b39f45da936 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.77 CC(=O)N[C@H](C)c1cccs1 f815dc1cf41a56fe27ec577f5b868185 [1,1,0,0,0,0|1,1,0]=4 595 B11R1.77 CN(CC(=O)N)c1ncco1 f368f9ff1ccc7daaf84f4dc076f24930 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.77 CN(CC(=O)O)c1ncco1 c91892fc17a595c52495ce8f5ff28e21 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.44 CCc1ccc(o1)N(C)CC 4464ab03ef58e09b936989b2b300cb2a [1,1,0,0,0,0|1,0,1]=4 598 B11R1.27 C#CCNCc1ccc(o1)C 6c396c8ec26f1f0dee255e0e37912bf6 [1,1,0,0,0,0|1,0,1]=4 599 B11R1.27 C#CCOCc1ccc(o1)C 7ba95896a095ae67a20d67870da883a3 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.27 C=CCCNc1ccc(o1)C 9d5e20c4e34834d3b382779ab38f0716 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.27 C=CCCNc1ccc(s1)C d0c4d97e1761d1d1cbced1a9809b38a0 [1,1,0,0,0,0|1,1,0]=4 602 B11R1.27 C=CCCNc1cnc(o1)C 62338c6bae0ee9c5e756b82e93a0f1b0 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.27 C=CCCNc1ncc(o1)C 4e9c09d6585ae23ba472f8b6f9a11349 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.27 C=CCNCc1ccc(o1)Br 3a81dcb26fdfcb12c6dd9253eb621ac9 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.27 C=CCNCc1ccc(o1)C ecc6b2248ae333f01dccb2058efedc4c [1,1,0,0,0,0|1,0,0]=3 606 B11R1.27 C=CCNCc1ccc(s1)C 5731bacef6d8b3b286fbe60196b754de [1,1,0,0,0,0|1,1,0]=4 607 B11R1.27 C=CCNCc1cnc(o1)C c21483c462dd63fca1c0f0a76ffc3329 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.27 C=CCNCc1ncc(o1)C c040ff302a2a72a08117e9e877e55ee6 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.27 C=CCOCc1ccc(o1)Br 9fbc8215c6c4aec6570fe56c65d2aff7 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.27 C=CCOCc1ccc(o1)C fad6ec1f7019cde73b3cff947764dc70 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.27 C=CCOCc1ccc(s1)C e1bacf411e70b30f3303bd7192d4fcc1 [1,1,0,0,0,0|1,1,0]=4 612 B11R1.27 C=CCOCc1cnc(o1)C da4e9c9a8cb3d697314af7eea4a7b950 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.27 CC=CCNc1ccc(o1)C 9dd377e5ece04b71b669fadac7b8772e [1,1,0,0,0,0|1,0,1]=4 614 B11R1.27 CCCCNc1ccc(o1)C 54a31b1b1db1c0b2c103168592fd1e58 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.27 CCCNCc1ccc(o1)C 62eaddc55a3431ff1bc6049cfb34132d [1,1,0,0,0,0|1,0,1]=4 616 B11R1.27 CCCOCc1ccc(o1)C 44413ee853d5fc7b158361bd02b5f576 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.27 CCNCCc1ccc(o1)C 970942009447c5bc88a3bda9d5d6e2a8 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.27 CCOCCc1ccc(o1)C 4ddf07a2cc1d2413b762eea0519bec00 [1,1,0,0,0,0|1,0,1]=4 619 B11R1.27 COCCNc1ccc(o1)C d038da6d4e65b458ff86a5c1f1a26d41 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.27 COCNCc1ccc(o1)C cc75196018e33415b903af2c525ea0b9 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.27 COCOCc1ccc(o1)C b0383b9f35a72c0cb0720e362623b939 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.27 CSCCNc1ccc(o1)C b9a14901d1c3c9004037a147536c8468 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.27 CSCNCc1ccc(o1)C 0625f1b52c9d5728e08d7f8e6fe8f9d5 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.27 CSCOCc1ccc(o1)C e6f91dac6d42b75fc12e56aed9ad6d3e [1,1,0,0,0,0|2,0,0]=4 625 B11R1.27 Cc1c[nH]c(n1)COCC=O 2117d44de8d897c92e2ccabc558ab823 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.27 Cc1cc(cs1)COCC=O 7b4e6659d36fb8df8df61f58ec903742 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.27 Cc1ccc(o1)CCNC=O f8759a731ab1164b69d2907134afa90f [1,1,0,0,0,0|0,0,0]=2 628 B11R1.27 Cc1ccc(o1)CCNCF b0f343f22f6e9b0d508f908b4bb9d170 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.27 Cc1ccc(o1)CCNCO 3bb03667d3c07ef5907cd7043b1ca5fb [1,1,0,0,0,0|0,0,2]=4 630 B11R1.27 Cc1ccc(o1)CCOCF 825e9377a4b8e356cd07e6fb17babec7 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.27 Cc1ccc(o1)CNCC#N 4bed1f28d167684aa788377394cdc277 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.27 Cc1ccc(o1)CNCC=O 08ef7d2a4db83d5f9c1c2dd2636a1e53 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.27 Cc1ccc(o1)CNCCF 8a03744255c43867c1febfa149ad1cac [1,1,0,0,0,0|1,0,1]=4 634 B11R1.27 Cc1ccc(o1)CNCCO cd6eb829ae980d11aad332e446771ad9 [1,1,0,0,0,0|0,0,2]=4 635 B11R1.27 Cc1ccc(o1)CNCCS b6019f47fbf23376362f6b9a30c21b71 [1,1,0,0,0,0|0,1,1]=4 636 B11R1.27 Cc1ccc(o1)COCC#N 9dca42e023fbe572f02402d043c04f6b [1,1,0,0,0,0|1,0,1]=4 637 B11R1.27 Cc1ccc(o1)COCC=O 73b9f1bb0ac0262f0d1eaaf343b90ef3 [1,1,0,0,0,0|0,0,0]=2 638 B11R1.27 Cc1ccc(o1)COCCF 1a1654f1fcf163f9aefefb101ba55e91 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.27 Cc1ccc(o1)COCCS 8b8ce7a888ce0a9f7da621ed04624e31 [1,1,0,0,0,0|0,1,1]=4 640 B11R1.27 Cc1ccc(o1)NCCC#N ab3f43c8f178de66f32016f360f03780 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.27 Cc1ccc(o1)NCCCCl ded35675e9c3b47ac9a36d359f462da2 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.27 Cc1ccc(o1)NCCCO c64452969421de3b5347c016590cb12d [1,1,0,0,0,0|0,0,2]=4 643 B11R1.27 Cc1ccc(o1)NCCON 7879188fde1de985cdd90aca122d979c [1,1,0,0,0,0|2,0,0]=4 644 B11R1.27 Cc1ccc(s1)CCNC=O 41e961793edb8e4c98abb50a640ebe62 [1,1,0,0,0,0|0,1,0]=3 645 B11R1.27 Cc1ccc(s1)CNCC=O 49baa5d2e6ca78f2a476da563be757b5 [1,1,0,0,0,0|0,1,0]=3 646 B11R1.27 Cc1ccc(s1)COCC=O 0aee1ef23a91b0f5db45e50a5bc0f983 [1,1,0,0,0,0|0,1,0]=3 647 B11R1.27 Cc1ccc(s1)NCCC=O 414ad391c603b4fa6fc48e7057aa9843 [1,1,0,0,0,0|0,1,0]=3 648 B11R1.27 Cc1ccn(n1)CCNC=O 26224f005e6b31d0803e5ca7c0f3622f [1,1,0,0,0,0|2,0,0]=4 649 B11R1.27 Cc1cnc([nH]1)NCCC=O 8648ec115f8dd6b891084f86ffac0626 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.27 Cc1cnc(o1)CCNC=O c4ce25eb3556aa936801049a828c5f30 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.27 Cc1cnc(o1)CNCC=O 7035d0b3d68cdac0c6b72f8062b72f7a [1,1,0,0,0,0|1,0,0]=3 652 B11R1.27 Cc1cnc(o1)NCCC=O 7a99cc7bd0bde2d6c8dd6a136aceb548 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.27 Cc1cnc(s1)CNCC=O 2de39dc7fd9819509f393cf4a74898ca [1,1,0,0,0,0|1,1,0]=4 654 B11R1.27 Cc1cnc(s1)COCC=O eec62db2a6a43eb6017d11df644201df [1,1,0,0,0,0|1,1,0]=4 655 B11R1.27 Cc1cnc(s1)NCCC=O 8ba3d09b765678c5d35f342648c6c39c [1,1,0,0,0,0|1,1,0]=4 656 B11R1.27 Cc1coc(c1)CNCC=O d4f4242b2fceb81a08a9346e55ead4d1 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.27 Cc1coc(n1)CNCC=O b83f0f8eb1855add43e8b493a0ca83e4 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.27 Cc1coc(n1)NCCC=O 307e239009008af7704a2d3004b4a1f4 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.27 Cc1csc(c1)CNCC=O ee2729b5a7c13c5156f6daa57b94341b [1,1,0,0,0,0|2,0,0]=4 660 B11R1.27 Cc1csc(c1)COCC=O 57c4beb39afac5509eb22965855d84f5 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.27 Cc1csc(c1)OCCC=O 0fce170c8420f225d4067b82befd1453 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.27 Cc1csc(n1)CCNC=O fed7e6dd5d211b5fb55e96e4e5a1af0f [1,1,0,0,0,0|2,0,0]=4 663 B11R1.27 Cc1csc(n1)CNCC=O b414b339fd5f4f522a7dee915aea28ba [1,1,0,0,0,0|2,0,0]=4 664 B11R1.27 Cc1csc(n1)COCC=O 7ba532feb539c8dcd3600e7a6a1a688a [1,1,0,0,0,0|2,0,0]=4 665 B11R1.27 Cc1csc(n1)NCCC=O 145664fa82e1c8f6cbc23da713b17d63 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.27 Cc1nc(c[nH]1)CNCC=O ba0c2669bd70856f0873676e6b4c317e [1,1,0,0,0,0|2,0,0]=4 667 B11R1.27 Cc1nc(c[nH]1)COCC=O d098ef3d69f8aa2119671aaa2909c08f [1,1,0,0,0,0|2,0,0]=4 668 B11R1.27 Cc1nc(co1)CNCC=O 67cc1828cdbd480ecafeb3f699a523c3 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.27 Cc1nc(co1)COCC=O e4387c6a8f541d1d52b9337308e49c4a [1,1,0,0,0,0|2,0,0]=4 670 B11R1.27 Cc1nc(cs1)CCNC=O 796986ca8aea4599c853b69fd2769bcf [1,1,0,0,0,0|2,0,0]=4 671 B11R1.27 Cc1nc(cs1)CNCC=O 652bf372e274404706ed0e09112b16eb [1,1,0,0,0,0|2,0,0]=4 672 B11R1.27 Cc1nc(cs1)COCC=O bba08b9fcae9d7f5a3c2c297f681e624 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.27 Cc1ncc(o1)CNCC=O a794937d645291b68ac6a60e5f79d7e5 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.27 Cc1ncc(o1)COCC=O 36918a3e8c78107d9759039ea6e5dddc [1,1,0,0,0,0|1,0,0]=3 675 B11R1.27 Cc1ncc(o1)NCCC=O 29bfed4df3c1220f91688c950d80fb28 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.27 Cc1ncc(s1)CNCC=O 4e11aad0b6f81a9462bd1018415aa89b [1,1,0,0,0,0|1,1,0]=4 677 B11R1.27 Cc1ncc(s1)COCC=O 4796fa7c5b9d8225178680aae5330de8 [1,1,0,0,0,0|1,1,0]=4 678 B11R1.27 Cc1ncc(s1)NCCC=O 34ac6f36cc77a5327ea1fc30e98986db [1,1,0,0,0,0|1,1,0]=4 679 B11R1.27 Cc1nnc(o1)CNCC=O b82c5369864801f4376da5fe34c08ee5 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.27 Cc1nnc(o1)COCC=O cb88b43e59e4322013fb48624893f6fb [1,1,0,0,0,0|2,0,0]=4 681 B11R1.27 Cc1nnc(o1)NCCC=O 8a78f54827d5d3aa57aa25435ddc9fff [1,1,0,0,0,0|2,0,0]=4 682 B11R1.27 Cn1ccc(c1)COCC=O 1082895117ad2e6ba110609618a0682a [1,1,0,0,0,0|2,0,0]=4 683 B11R1.27 Cn1ccc(n1)CCNC=O 40eff944d1d7209e1d178892450a1e9b [1,1,0,0,0,0|2,0,0]=4 684 B11R1.27 Cn1ccc(n1)CNCC=O a2c05bc97afa4f3acf011876097ceca4 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.27 Cn1ccc(n1)COCC=O 43995b49ee5943d8392ac776f30d994c [1,1,0,0,0,0|2,0,0]=4 686 B11R1.27 Cn1ccc(n1)NCCC=O 4019d0f9a2582b7fe57e297983868343 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.27 Cn1ccc(n1)OCCC=O 340bb8a933ffff435154a07ec99b5e02 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.27 O=CCCNc1ccc(s1)Br b6078eabb0eb2a7cbdf00e9eab24e578 [1,1,0,0,0,0|1,1,0]=4 689 B11R1.27 O=CCCOC1C=CC(=O)O1 655091148739e8d5aa03616ff71c4e4a [1,1,0,0,0,0|1,0,1]=4 690 B11R1.27 O=CCCOc1ccc(s1)Br 441a687b21ce8272c4259cf149aff178 [1,1,0,0,0,0|1,1,0]=4 691 B11R1.27 O=CCNCc1ccc(o1)Br 172e933589cbb3ba1a2fee1e6dcc18c4 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.27 O=CCNCc1ccc(s1)Br 0fefc1c4fbbc2d9fe0af9758038aa4c7 [1,1,0,0,0,0|1,1,0]=4 693 B11R1.27 O=CCNCc1ccc(s1)Cl 7a2047d907cb37304444d64073d14cbd [1,1,0,0,0,0|1,1,0]=4 694 B11R1.27 O=CCNCc1ccc(s1)F 03638cc135e50574284280a57d5cf96c [1,1,0,0,0,0|1,1,0]=4 695 B11R1.27 O=CCNCc1ncc(o1)Br f08c24cc7d186bdbc13f81c97f322b11 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.27 O=CCOCC1C=CC(=O)O1 0f465020250c180aa32c372dc68212dc [1,1,0,0,0,0|1,0,1]=4 697 B11R1.27 O=CCOC[C@@H]1C=CC(=O)O1 af7ed666f8b5e29da3fcf03188510046 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.27 O=CCOCc1ccc(o1)Br 90f5417efc9b284b0c20f38367874272 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.27 O=CCOCc1ccc(s1)Br 7006420230161a8f4acec0e926f5934a [1,1,0,0,0,0|1,1,0]=4 700 B11R1.27 O=CCOCc1ccc(s1)Cl 400e5c29961794216acafbfc1f4ad42a [1,1,0,0,0,0|1,1,0]=4 701 B11R1.27 O=CCOCc1ccc(s1)F f8305010ede43e201df0d7199bd37571 [1,1,0,0,0,0|1,1,0]=4 702 B11R1.27 O=CCOCc1ncc(o1)Br 008ca1cdd8748157cf0a24e5f40d4748 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.27 O=CNCCc1ccc(s1)Br ee1507ea50188bf15bd354cd4d764203 [1,1,0,0,0,0|1,1,0]=4 704 B11R1.39 C=CC(C)Nc1ccc(o1)C 1035f130f1a45ac40a5f3aa5a2362349 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.39 Cc1ccc(o1)CN(C)C=O 7be3bef4fcdb27e6ccfa58f6ea3d7f59 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.39 Cc1ccc(s1)CN(C)C=O 09e20f57a3d8cc27cfbbeac833ae2eef [1,1,0,0,0,0|1,1,0]=4 707 B11R1.39 Cc1ccc(s1)NC(C)C=O b7bec7ec09ce60f00c053afafb7bc10d [1,1,0,0,0,0|1,1,0]=4 708 B11R1.39 Cc1ccc(s1)N[C@H](C)C=O aca46ea0b31cfb074220c42994298dce [1,1,0,0,0,0|1,1,0]=4 709 B11R1.39 Cc1cnc(o1)NC(C)C=O 4ebe2d45be90fd7ec906e9efd1a5a2f8 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.39 Cc1cnc(o1)N[C@H](C)C=O 77581a7dad56b5cce21f0ff86f5b82e3 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.39 Cc1ncc(o1)NC(C)C=O 3a7621f1d62342aad967740aca6ead04 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.39 Cc1ncc(o1)N[C@H](C)C=O f0fc1cd549848be9366021c0da562daf [1,1,0,0,0,0|2,0,0]=4 713 B11R1.75 C=C(Br)CNc1ccc(o1)C 802ddd482c4b9257b9ec5dffa0486b93 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.75 C=C(C)CNc1ccc(o1)C 38f43c55846fca3b94b16190a890c79f [1,1,0,0,0,0|2,0,0]=4 715 B11R1.75 CC(=O)CNc1ccc(o1)C a2d4efbcab84d7259315a868deaaa873 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.75 CC(=O)CNc1ccc(s1)C dc48b32a35ca60a3449a92a01b93fb89 [1,1,0,0,0,0|1,1,0]=4 717 B11R1.75 CC(=O)NCc1ccc(o1)Br 6e710dbc8a7ab5ca5f302eac2d542d29 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.75 CC(=O)NCc1ccc(o1)C b13cd0bd40ca6cf6e3c39d68d12bdda4 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.75 CC(=O)NCc1ccc(s1)C fbe57bc2ff3d0b0d111a80584c69c601 [1,1,0,0,0,0|1,1,0]=4 720 B11R1.75 CC(=O)NCc1cnc(o1)C c884235d974f23eff843a6ec5da668ea [1,1,0,0,0,0|2,0,0]=4 721 B11R1.75 CC(=O)NCc1ncc(o1)C b96c864fd9d090130791d073abfa9d4e [1,1,0,0,0,0|2,0,0]=4 722 B11R1.75 Cc1ccc(o1)NCC(=O)N cac804fda3ef34d781c21678c0228f2a [1,1,0,0,0,0|1,0,0]=3 723 B11R1.75 Cc1ccc(s1)NCC(=O)N 1550547e68caa62a2f97080600dc1d81 [1,1,0,0,0,0|1,1,0]=4 724 B11R1.75 Cc1ccc(s1)NCC(=O)O 22e0aa6e8a63bef06bc74935a6d64ad6 [1,1,0,0,0,0|1,1,0]=4 725 B11R1.75 Cc1cnc(o1)NCC(=O)N a2b38dc1dfaeaf4b9f5a9352e8303d0b [1,1,0,0,0,0|2,0,0]=4 726 B11R1.75 Cc1cnc(o1)NCC(=O)O a9b0c1e5ed78ce5c0a81682de79f5b29 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.75 Cc1ncc(o1)NCC(=O)N d5d7d1adb1c2d38dbb8ec370d16d4d75 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.75 Cc1ncc(o1)NCC(=O)O 1bb34fb248c6b88fa831a709082f154b [1,1,0,0,0,0|2,0,0]=4 729 B11R1.212 Cc1ccc(n1C)CNC=O 1beab8a950bb57f819ab55bee26efda9 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.214 O=CNCc1ccc(o1)CO 7e0bd32ea0a8fe06ded4999c60e0c486 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.230 Cc1nc(c(o1)CNC=O)C 0b3fe9ba48dd99863c625b2e51c3952c [1,1,0,0,0,0|2,0,0]=4 732 B11R1.231 Cc1nc(oc1C)CNC=O 7ec357869d401059139d54f32e9efabe [1,1,0,0,0,0|2,0,0]=4 733 B11R1.231 Cc1nc(oc1C)NCC=O a0057e4536d6b38cf0f9933df60ecd42 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.231 Cc1oc(nc1Br)CNC=O 014807a2e312a9e8d213f9529a5c2f9a [1,1,0,0,0,0|2,0,0]=4 735 B11R1.231 Cc1sc(cc1Br)NCC=O 3d75d1e9c4f3418f766d946b9803040f [1,1,0,0,0,0|1,1,0]=4 736 B13R1.1 CCC(NC=O)c1ccc(cc1)C f92b70cc645e587117f074c488a719bd [0,1,0,0,0,1|2,0,0]=4 737 B13R1.1 CCC(NC=O)c1ccc(cn1)C 20e928fbfa9affe8f2ecf56061578869 [0,1,0,0,0,1|2,0,0]=4 738 B13R1.1 CCN(CC=O)c1ccc(cc1)C d051d8a81902dcc824d1c350868be035 [0,1,0,0,0,1|2,0,0]=4 739 B13R1.1 CCN(CC=O)c1ccc(nn1)C a20ed776aacf735ff31b247d71acec6d [0,1,0,0,0,1|2,0,0]=4 740 B13R1.1 Cc1ccc(cc1)C(CO)NC=O 907d7be7e3c3f5f0d4fbb0f4aabb3914 [0,1,0,0,0,1|2,0,0]=4 741 B13R1.1 Cc1ccc(cc1)[C@@H](CO)NC=O 4798a3bdca0e3b1db63b70050374098a [0,1,0,0,0,1|2,0,0]=4 742 B13R1.1 Cc1ccc(cc1)[C@H](CO)NC=O a2b3b7d108193d6ee9498c036086bdd3 [0,1,0,0,0,1|2,0,0]=4 743 B13R1.17 C=CCNC(C)c1ccc(cc1)C a6d242d46a8e6a1437c8f350f982e155 [0,1,0,0,0,1|2,0,0]=4 744 B13R1.17 C=CCNC(C)c1ccc(cn1)C 9478f2de6c0dce085c2cc5e29cfacef3 [0,1,0,0,0,1|2,0,0]=4 745 B13R1.17 C=CCNC(C)c1ccc(nc1)C 2f2a44d3adee181d2cf943c7c6533a0e [0,1,0,0,0,1|2,0,0]=4 746 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)C f5dc05c271e14ee4aef59cf9df3d20a4 [0,1,0,0,0,1|2,0,0]=4 747 B13R1.17 C=CCN[C@@H](C)c1ccc(nc1)C 546c454b13df2f6b0a2ab146d03c3292 [0,1,0,0,0,1|2,0,0]=4 748 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C d22c00bf7fd6667178b5fe37d27a952d [0,1,0,0,0,1|2,0,0]=4 749 B13R1.17 C=CCN[C@H](C)c1ccc(cn1)C e61a90209eb2f17e9cf8ccb9e47af869 [0,1,0,0,0,1|2,0,0]=4 750 B13R1.17 C=CCN[C@H](C)c1ccc(nc1)C 9eb23aed7e06ce62632ad7af4a3674df [0,1,0,0,0,1|2,0,0]=4 751 B13R1.17 C=CCOC(C)c1ccc(cc1)C 2d8db0752556e91a4efbfeb2ecb16a1c [0,1,0,0,0,1|2,0,0]=4 752 B13R1.17 C=CCOC(C)c1ccc(cn1)C d2720fa975f516d69aaa9c06c6e6ed89 [0,1,0,0,0,1|2,0,0]=4 753 B13R1.17 C=CCOC(C)c1ccc(nc1)C 7a348a416c5457893e318f755c29d107 [0,1,0,0,0,1|2,0,0]=4 754 B13R1.17 C=CCOC(C)c1ccc(nn1)C ad84508797344d182e7e3e38afcb89d7 [0,1,0,0,0,1|2,0,0]=4 755 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)C ea50a3f8d9df6d79c35a307e96df79f7 [0,1,0,0,0,1|2,0,0]=4 756 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C db8e1d34e251535a465e27e80a02b542 [0,1,0,0,0,1|2,0,0]=4 757 B13R1.17 CC(CNC=O)c1ccc(cc1)Br fc08502cd6cdb1669fcbcccae5dc517d [0,1,0,0,0,1|2,0,0]=4 758 B13R1.17 CC(NCC=O)c1ccc(cc1)Br 8b82fe1252aad7e24dd009b628b5bb4d [0,1,0,0,0,1|2,0,0]=4 759 B13R1.17 CC(NCC=O)c1ccc(cc1)Cl 3365afdf5ac19ab01de44aa94a4faa58 [0,1,0,0,0,1|2,0,0]=4 760 B13R1.17 CC(NCC=O)c1ccc(cc1)F 8468296440f77dace89b53e7d22b09fe [0,1,0,0,0,1|2,0,0]=4 761 B13R1.17 CC(NCC=O)c1ccc(cc1)I 0b2c39f38e0b87e63f0772c250f82bbf [0,1,0,0,0,1|2,0,0]=4 762 B13R1.17 CC(NCC=O)c1ccc(cn1)Br 47f2cacbeb523b2a8c1fec8c5fe6cd85 [0,1,0,0,0,1|2,0,0]=4 763 B13R1.17 CC(NCC=O)c1ccc(cn1)Cl 75c4729bcae68e46eb40d448a74b2850 [0,1,0,0,0,1|2,0,0]=4 764 B13R1.17 CC(NCC=O)c1ccc(cn1)F ec1e38032656bc756272d8577755c86d [0,1,0,0,0,1|2,0,0]=4 765 B13R1.17 CC(NCC=O)c1ccc(nc1)Br 1d71e07b3330170ceb80ce12be0c4eee [0,1,0,0,0,1|2,0,0]=4 766 B13R1.17 CC(NCC=O)c1ccc(nc1)Cl 63cc364515d6f42e44e42f8180d544f5 [0,1,0,0,0,1|2,0,0]=4 767 B13R1.17 CC(NCC=O)c1ccc(nc1)F f15b03d1c38007724815292492c1004d [0,1,0,0,0,1|2,0,0]=4 768 B13R1.17 CC(OCC=O)c1ccc(cc1)Br ad8f8aa68d87f640c755181f947f4f59 [0,1,0,0,0,1|2,0,0]=4 769 B13R1.17 CC(OCC=O)c1ccc(cc1)Cl a9480a7aec4cc275b1d5d6b3be803c95 [0,1,0,0,0,1|2,0,0]=4 770 B13R1.17 CC(OCC=O)c1ccc(cc1)F 87736d0500730d90ed7f75ad57b78c94 [0,1,0,0,0,1|2,0,0]=4 771 B13R1.17 CC(OCC=O)c1ccc(cc1)I d59e16310e18cf9234283daba6927d2c [0,1,0,0,0,1|2,0,0]=4 772 B13R1.17 CC(OCC=O)c1ccc(cn1)Br 0e51ed7c8d7ff5ee2fb4ccddb808bc54 [0,1,0,0,0,1|2,0,0]=4 773 B13R1.17 CC(OCC=O)c1ccc(cn1)Cl 03d54ffca2a78bf543e5417f59526d8d [0,1,0,0,0,1|2,0,0]=4 774 B13R1.17 CC(OCC=O)c1ccc(cn1)F 66c76958c2663b76d3837ea43eb3ad1d [0,1,0,0,0,1|2,0,0]=4 775 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 8d86d028c0cba738875f259c2b1386c0 [0,1,0,0,0,1|2,0,0]=4 776 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl e91b0055f1cf058d89241ff2c2290a82 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.17 CC(OCC=O)c1ccc(nc1)F 7fe7f1f78dd28b7e5b015071158b42d3 [0,1,0,0,0,1|2,0,0]=4 778 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Br 04b213898c4e02d60885c1c61d18d6ad [0,1,0,0,0,1|2,0,0]=4 779 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl e518d9622aaac0d77c95689a881ee32a [0,1,0,0,0,1|2,0,0]=4 780 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)F 29c9895bc66d3d8ea1ee5f573a1ec149 [0,1,0,0,0,1|2,0,0]=4 781 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)I edcd98af9b37de19b402bfe66f527909 [0,1,0,0,0,1|2,0,0]=4 782 B13R1.17 C[C@@H](NCC=O)c1ccc(cn1)Br 9e91a12f7114ebf5d4021effe35caf5e [0,1,0,0,0,1|2,0,0]=4 783 B13R1.17 C[C@@H](NCC=O)c1ccc(nc1)Br 37991de0a09505e473db2c0a643e4aed [0,1,0,0,0,1|2,0,0]=4 784 B13R1.17 C[C@@H](NCC=O)c1ccc(nc1)Cl 71fe81abe1cda68d50efaccc8e36c7d9 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.17 C[C@@H](OCC=O)c1ccc(cc1)Br 1a621e18d01c427cc2b97a0df8d61167 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.17 C[C@@H](OCC=O)c1ccc(cc1)Cl 51bb4c807ab31baa9c561f6bfeebfdbd [0,1,0,0,0,1|2,0,0]=4 787 B13R1.17 C[C@@H](OCC=O)c1ccc(cc1)F f0a230a5299cae29ed652327deeacc35 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.17 C[C@@H](OCC=O)c1ccc(cc1)I bd26941dce33d1df96961cb2e75038a5 [0,1,0,0,0,1|2,0,0]=4 789 B13R1.17 C[C@@H](OCC=O)c1ccc(cn1)Br b5a6db836328c8555377e94470a4515b [0,1,0,0,0,1|2,0,0]=4 790 B13R1.17 C[C@@H](OCC=O)c1ccc(cn1)F 19cd4a4f2a0ef77f26971c8cae2e9860 [0,1,0,0,0,1|2,0,0]=4 791 B13R1.17 C[C@@H](OCC=O)c1ccc(nc1)Br 0dcbd9f816a83e055212497f1cd610a1 [0,1,0,0,0,1|2,0,0]=4 792 B13R1.17 C[C@@H](OCC=O)c1ccc(nc1)Cl baeeb03630a52d82fa79dcfa7c2e69e5 [0,1,0,0,0,1|2,0,0]=4 793 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)Br 317a9a61d08df9983a70abd2b7d35413 [0,1,0,0,0,1|2,0,0]=4 794 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)Cl 2a4a1d13c2edbc649a5072ea9bcadfa5 [0,1,0,0,0,1|2,0,0]=4 795 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 7eaccb4913f318e70d98cc4bca1a91a4 [0,1,0,0,0,1|2,0,0]=4 796 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)I 237b7c1d16d77bf7a7f27e7e912659e5 [0,1,0,0,0,1|2,0,0]=4 797 B13R1.17 C[C@H](NCC=O)c1ccc(cn1)Br d4d35451ddb5f4f116952928cf3b721f [0,1,0,0,0,1|2,0,0]=4 798 B13R1.17 C[C@H](NCC=O)c1ccc(cn1)Cl 5846d5b57cd8eb47608ae8d726e6d3b2 [0,1,0,0,0,1|2,0,0]=4 799 B13R1.17 C[C@H](NCC=O)c1ccc(cn1)F 0602026748965e7d2f0a2391630fa663 [0,1,0,0,0,1|2,0,0]=4 800 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Br 11989c902b782d28135d6d6ada235c82 [0,1,0,0,0,1|2,0,0]=4 801 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Cl c038dd31df9b7279112ed2a34a020800 [0,1,0,0,0,1|2,0,0]=4 802 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Br a96f0774d2c276c451948aea48e621ed [0,1,0,0,0,1|2,0,0]=4 803 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7968ddc6fb5997c44445bfa480b5f507 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)F a15004cbdde47bacccea1578da8005ae [0,1,0,0,0,1|2,0,0]=4 805 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)I e907921c6c42c3de620d5eb7fe907ce0 [0,1,0,0,0,1|2,0,0]=4 806 B13R1.17 C[C@H](OCC=O)c1ccc(cn1)Br d1d6c15d889d2d97a50f349e7d37740a [0,1,0,0,0,1|2,0,0]=4 807 B13R1.17 C[C@H](OCC=O)c1ccc(nc1)Br 93e2378448182eec2b7bcdf5b9b37d3b [0,1,0,0,0,1|2,0,0]=4 808 B13R1.17 C[C@H](OCC=O)c1ccc(nc1)Cl 56a20fda78362bce52051ec37adcbfe0 [0,1,0,0,0,1|2,0,0]=4 809 B13R1.17 Cc1ccc(cc1)C(C)NCC=O 225bc7437c653f2e1e5222777365487c [0,1,0,0,0,1|1,0,0]=3 810 B13R1.17 Cc1ccc(cc1)C(C)OCC=O 9974c685fb04ef2d35ad8c966b83c389 [0,1,0,0,0,1|1,0,0]=3 811 B13R1.17 Cc1ccc(cc1)C(O)CNC=O e77bb51640ca9ec1d955957208d468e1 [0,1,0,0,0,1|2,0,0]=4 812 B13R1.17 Cc1ccc(cc1)N(C)CCC=O a233fb263b729b3613f5c6a1917b31f7 [0,1,0,0,0,1|2,0,0]=4 813 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 98947799e45a42e7451342a23fe4769c [0,1,0,0,0,1|1,0,0]=3 814 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O d76371dffdee84ebfa19d230392c8aed [0,1,0,0,0,1|1,0,0]=3 815 B13R1.17 Cc1ccc(cc1)[C@H](C)NCC=O cb0872446d8e5305f3bad91146217ac6 [0,1,0,0,0,1|1,0,0]=3 816 B13R1.17 Cc1ccc(cc1)[C@H](C)OCC=O 09ae499d69ad5879e9c88443156679b3 [0,1,0,0,0,1|1,0,0]=3 817 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 9333bf38d23963614732a3b14589fc7a [0,1,0,0,0,1|1,0,0]=3 818 B13R1.17 Cc1ccc(cn1)C(C)OCC=O aac22394b6712a5c11064bf580574880 [0,1,0,0,0,1|1,0,0]=3 819 B13R1.17 Cc1ccc(cn1)N(C)CCC=O cb26e14f8f1c644772fdb243e2db217f [0,1,0,0,0,1|2,0,0]=4 820 B13R1.17 Cc1ccc(cn1)[C@@H](C)NCC=O b4dc5079c19ab2c3c24959016f4a4853 [0,1,0,0,0,1|1,0,0]=3 821 B13R1.17 Cc1ccc(cn1)[C@H](C)NCC=O e0dd13cf09f5675aaf81340fe8887937 [0,1,0,0,0,1|1,0,0]=3 822 B13R1.17 Cc1ccc(nc1)C(C)NCC=O d5b285f8bbaf56b4f0fa73d6b49c62e3 [0,1,0,0,0,1|1,0,0]=3 823 B13R1.17 Cc1ccc(nc1)C(C)OCC=O 7c66af2a2add64784a19ad02efdd666e [0,1,0,0,0,1|1,0,0]=3 824 B13R1.17 Cc1ccc(nc1)N(C)CCC=O c910a5b668b9833eb01aff9537257e46 [0,1,0,0,0,1|2,0,0]=4 825 B13R1.17 Cc1ccc(nc1)[C@@H](C)NCC=O 42f9caa14c229039bf92bd9cf1b0c3cc [0,1,0,0,0,1|1,0,0]=3 826 B13R1.17 Cc1ccc(nn1)C(C)OCC=O 7c8071f6a06f00d7015da7d53c8d0747 [0,1,0,0,0,1|1,0,0]=3 827 B13R1.17 Cc1cnc(nc1)C(C)NCC=O fd7bb2e1125509062abe7d421c8322f5 [0,1,0,0,0,1|2,0,0]=4 828 B13R1.17 Cc1cnc(nc1)[C@H](C)NCC=O 178a8e81f56c488807963bb12a5668ee [0,1,0,0,0,1|2,0,0]=4 829 B13R1.21 Cc1ccc(cc1)C(C)N(C)C=O 13c20003fbeab6b49cd9d8b7195b1495 [0,1,0,0,0,1|2,0,0]=4 830 B13R1.21 Cc1ccc(cc1)N(C)C(C)C=O 4c1657bfd14aedf30236dd8bc0cb378f [0,1,0,0,0,1|2,0,0]=4 831 B13R1.21 Cc1ccc(cc1)N(C)[C@H](C)C=O be2f3af86b4cc1cd69071477cf22470e [0,1,0,0,0,1|2,0,0]=4 832 B13R1.21 Cc1ccc(cn1)N(C)C(C)C=O 8b72a454c19b7057aaa07c01d98c1785 [0,1,0,0,0,1|2,0,0]=4 833 B13R1.21 Cc1ccc(cn1)N(C)[C@H](C)C=O 9ba7edf438f067c04ffdbfb737e65c50 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.21 Cc1ccc(nc1)N(C)C(C)C=O 26a655e13d7e461661bbd24ed1c6c6e6 [0,1,0,0,0,1|2,0,0]=4 835 B13R1.21 Cc1ccc(nc1)N(C)[C@H](C)C=O 7c70a169716ede7bb9d4ab31b9f11c4e [0,1,0,0,0,1|2,0,0]=4 836 B13R1.29 Cc1ccc(cc1)C(C)(C)NC=O a9a0b1e6aeda4e557959ccddedce65ae [0,1,0,0,0,1|2,0,0]=4 837 B13R1.132 CC(=O)NC(C)c1ccc(cc1)C d4c79309c44b6a927ae9382f525a284c [0,1,0,0,0,1|2,0,0]=4 838 B13R1.132 CC(=O)NC(C)c1ccc(cn1)C 28935c9f55e8f929dd640a8dedcfbab3 [0,1,0,0,0,1|2,0,0]=4 839 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 943c8f6a2dd4d38673ee290417b22244 [0,1,0,0,0,1|2,0,0]=4 840 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)C 5647093d8c0bb37ad5e8c4f7d17256e8 [0,1,0,0,0,1|2,0,0]=4 841 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)C 73e328d951521d4ab26f57d9d75f4a2f [0,1,0,0,0,1|2,0,0]=4 842 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 5b64e1a0358364ed7716d96a3e6515a7 [0,1,0,0,0,1|2,0,0]=4 843 B13R1.132 CC(=O)N[C@H](C)c1ccc(cn1)C feaca8c91ca7a2ecfebfdbea2aae8e12 [0,1,0,0,0,1|2,0,0]=4 844 B13R1.132 CC(=O)N[C@H](C)c1ccc(nc1)C 383e88c9406ef22a786b0319e5baf5ef [0,1,0,0,0,1|2,0,0]=4 845 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N e60aea0b2eb57b07e2729c839ddd3f8e [0,1,0,0,0,1|2,0,0]=4 846 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)O 141c7daee4de318c169bcb830b89757f [0,1,0,0,0,1|2,0,0]=4 847 B13R1.132 Cc1ccc(cn1)N(C)CC(=O)N d4865fcff7e83c7267896d6ec5425707 [0,1,0,0,0,1|2,0,0]=4 848 B13R1.132 Cc1ccc(cn1)N(C)CC(=O)O 045e8216487c91e6ad620ba4b0c2b975 [0,1,0,0,0,1|2,0,0]=4 849 B13R1.132 Cc1ccc(nc1)N(C)CC(=O)N ef81ddacfd2790455d030b2ffd0f22cb [0,1,0,0,0,1|2,0,0]=4 850 B13R1.132 Cc1ccc(nc1)N(C)CC(=O)O a38130f952d7f20bf49549643802adbb [0,1,0,0,0,1|2,0,0]=4 851 B13R1.132 Cc1ccc(nn1)N(C)CC(=O)N 9d460671cf421a365a97e8ef1fbed267 [0,1,0,0,0,1|2,0,0]=4 852 B13R1.452 CC(NC=O)c1ccc(cc1)CO c2b8be19a91e3140d01aae0570b88892 [0,1,0,0,0,1|2,0,0]=4 853 B13R1.452 CCc1ccc(cc1)C(C)NC=O 6f43760ff47ab981d9517250eec52453 [0,1,0,0,0,1|2,0,0]=4 854 B13R1.452 CCc1ccc(cc1)[C@@H](C)NC=O 429b064e25552fe5b5101e7fb9a09a15 [0,1,0,0,0,1|2,0,0]=4 855 B13R1.452 CCc1ccc(cc1)[C@H](C)NC=O cf3d0bdb13bd552a8f165d9866e153f8 [0,1,0,0,0,1|2,0,0]=4 856 B13R1.452 CN(CC=O)c1ccc(cc1)CO a9b6c26a26fffe9bd165ac0b699540e6 [0,1,0,0,0,1|2,0,0]=4 857 B13R1.452 COc1ccc(cc1)C(C)NC=O c8ae62a39aa70763e81012ece956898f [0,1,0,0,0,1|2,0,0]=4 858 B13R1.452 COc1ccc(cc1)N(C)CC=O 72e6bb368849c9cfb445d00305454753 [0,1,0,0,0,1|2,0,0]=4 859 B13R1.452 COc1ccc(cc1)[C@@H](C)NC=O 9162d72aa686cb662bd77f11a9e8e3e2 [0,1,0,0,0,1|2,0,0]=4 860 B13R1.452 COc1ccc(cc1)[C@H](C)NC=O 99b3cd220661aa1240085f91f9600f56 [0,1,0,0,0,1|2,0,0]=4 861 B13R1.452 COc1ccc(cn1)C(C)NC=O 8bdc9e14b69509e216cf3e8740ef41da [0,1,0,0,0,1|2,0,0]=4 862 B13R1.452 COc1ccc(cn1)N(C)CC=O d312a9a34e43fa471b3b0b652c8cf8f3 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.452 COc1ccc(cn1)[C@@H](C)NC=O 99c492d9ff54a339bdc3e851709316af [0,1,0,0,0,1|2,0,0]=4 864 B13R1.452 COc1ccc(cn1)[C@H](C)NC=O 8078782f6a24dfd5db592cb8d052db20 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.452 COc1ccc(nc1)N(C)CC=O ffb01b16ae54261042b23e4f64199955 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.452 CSc1ccc(cc1)N(C)CC=O e9adb9d393e4dab561dca3b1e03189c5 [0,1,0,0,0,1|2,0,0]=4 867 B13R1.452 CSc1ccc(cc1)[C@@H](C)NC=O 434eb014ed1cb0e6ed4273ab6df72870 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.452 CSc1ccc(cc1)[C@H](C)NC=O dd45daef5f5abd2ef6a25e8dd63ae9fc [0,1,0,0,0,1|2,0,0]=4 869 B13R1.452 C[C@@H](NC=O)c1ccc(cc1)CO 8f2c3cd54f83897fc6798b066e76a124 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.452 C[C@H](NC=O)c1ccc(cc1)CO 0539290377bf21c80eb5ca159fba3e8a [0,1,0,0,0,1|2,0,0]=4 871 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O dd75b969396d77b9ee85cda6352835c2 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.466 Cc1ccc(cc1C)C(C)NC=O 04e6c8300e0ccd612d6c8c335a69dec5 [0,1,0,0,0,1|2,0,0]=4 873 B13R1.466 Cc1ccc(cc1C)[C@H](C)NC=O 906c7c14529b8b2e00e6e0765b3fb358 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.466 Cc1ccc(cc1Cl)C(C)NC=O e570db82f4e2d821c455613e43d42d7e [0,1,0,0,0,1|2,0,0]=4 875 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 2ec91366c62ce0d4a3c80f5128a4219c [0,1,0,0,0,1|2,0,0]=4 876 B13R1.466 Cc1ccc(cc1Cl)[C@@H](C)NC=O f97b718a3414d15d2a97b98ee9e10b30 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.466 Cc1ccc(cc1F)C(C)NC=O b5e60798b5d677b704380a77224d6bfd [0,1,0,0,0,1|2,0,0]=4 878 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 2672c7751e3bdda0edf9e27d7bed20b6 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.466 Cc1ccc(cc1F)[C@H](C)NC=O a8546d39823da7b63ed461f381b47a37 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.466 Cc1ncc(cc1Br)N(C)CC=O e131c1425eeebe7b09f8f4822a2224ce [0,1,0,0,0,1|2,0,0]=4 881 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 8d6983b9c38500173d4d838e2df25302 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.1511 Cc1ccc(c(c1)C)C(C)NC=O 4803b40efa9699cc97586858a7b659e7 [0,1,0,0,0,1|2,0,0]=4 883 B13R1.1511 Cc1ccc(c(c1)C)N(C)CC=O 08aa6a319e3cb69841ba35a6085ab04a [0,1,0,0,0,1|2,0,0]=4 884 B13R1.1511 Cc1ccc(c(c1)C)[C@@H](C)NC=O 026c3372a6f7143517998addb2ced34f [0,1,0,0,0,1|2,0,0]=4 885 B13R1.1511 Cc1ccc(c(c1)C)[C@H](C)NC=O fcad262e08e8fb2a2597a0b0c85cac15 [0,1,0,0,0,1|2,0,0]=4 886 B13R1.1511 Cc1ccc(c(c1)Cl)[C@@H](C)NC=O 46bc188b18457b92af3ef59faacfb8d1 [0,1,0,0,0,1|2,0,0]=4 887 B13R1.1511 Cc1ccc(c(c1)Cl)[C@H](C)NC=O 6a03f35a0c2eb2d4a71af37c39f6da8e [0,1,0,0,0,1|2,0,0]=4 888 B13R1.1511 Cc1ccc(c(c1)F)C(C)NC=O 957e766d2c2a112aba0a27ba15fc54bc [0,1,0,0,0,1|2,0,0]=4 889 B13R1.1511 Cc1ccc(c(c1)F)N(C)CC=O 456d8167467f755ab86e998e1500de6b [0,1,0,0,0,1|2,0,0]=4 890 B13R1.1511 Cc1ccc(c(c1)S)N(C)CC=O 75d17afa7ad15ad6f8b401d575e4bc89 [0,1,0,0,0,1|2,0,0]=4 891 B13R1.1511 Cc1cnc(c(c1)Br)N(C)CC=O 9992cd0a262663ca663fb5780041253b [0,1,0,0,0,1|2,0,0]=4 892 B13R1.2 CCC(NC=O)c1cc(ccn1)C 2debf57df7e447d0a7e9753e651735c2 [0,1,0,0,0,1|2,0,0]=4 893 B13R1.2 CCC(NC=O)c1cccc(c1)C f3661b7e6cf9c86fcd674975c962740c [0,1,0,0,0,1|2,0,0]=4 894 B13R1.2 CCC(NC=O)c1cccc(n1)C 7049be3173850764bffb0c99ce46fbd2 [0,1,0,0,0,1|2,0,0]=4 895 B13R1.2 CCN(CC=O)c1cc(ccn1)C 65627854fd6c976ca5845322b05c2edb [0,1,0,0,0,1|2,0,0]=4 896 B13R1.2 CCN(CC=O)c1cccc(c1)C e7f12e1a1cda47a5da1c98df92871a5c [0,1,0,0,0,1|2,0,0]=4 897 B13R1.2 CCN(CC=O)c1cccc(n1)C 2d115331567d74bc369ca44345cfd8e3 [0,1,0,0,0,1|2,0,0]=4 898 B13R1.2 CC[C@@H](NC=O)c1cccc(c1)C cd78a4c9c6482d3be4a746fa09cbe6a3 [0,1,0,0,0,1|2,0,0]=4 899 B13R1.2 Cc1cccc(c1)C(CO)NC=O 5930a5ee2632aa8bcbf8138465ac11cc [0,1,0,0,0,1|2,0,0]=4 900 B13R1.2 Cc1cccc(c1)[C@@H](CO)NC=O 020a918e1cf3fba90040a8b0989b9b45 [0,1,0,0,0,1|2,0,0]=4 901 B13R1.2 Cc1cccc(c1)[C@H](CO)NC=O 5619fbcb3b26cf6713762e96cfbc4a16 [0,1,0,0,0,1|2,0,0]=4 902 B13R1.12 Cc1cccc(c1C)C(C)NC=O 76ad222db3433d1adedad0b09fcbbe27 [0,1,0,0,0,1|2,0,0]=4 903 B13R1.12 Cc1cccc(c1F)[C@@H](C)NC=O aba089ceb6edb961ab49656022c209a9 [0,1,0,0,0,1|2,0,0]=4 904 B13R1.18 C=CCNC(C)c1cc(ccn1)C f5bb2dc45194d1445abab314f1a9a8c8 [0,1,0,0,0,1|2,0,0]=4 905 B13R1.18 C=CCNC(C)c1cccc(c1)C c006b1d6f391b2bcdc9e6e1c8a789bdb [0,1,0,0,0,1|2,0,0]=4 906 B13R1.18 C=CCNC(C)c1cccc(n1)C 7f10cd9487337bbcff72dbc26516beee [0,1,0,0,0,1|2,0,0]=4 907 B13R1.18 C=CCNC(C)c1ccnc(c1)C 6f77606fa1e6eb87910a4dfa8242a9fb [0,1,0,0,0,1|2,0,0]=4 908 B13R1.18 C=CCN[C@@H](C)c1cccc(c1)C d84908d4bf4e333f524fb6021f9f8b61 [0,1,0,0,0,1|2,0,0]=4 909 B13R1.18 C=CCN[C@@H](C)c1cccc(n1)C c56a91b1d2b95553a531f20631bbfc57 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.18 C=CCN[C@@H](C)c1ccnc(c1)C efe1edb6bec264b43d6d3d46b1c0a7db [0,1,0,0,0,1|2,0,0]=4 911 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C e2cb84155aa5c4316e44b3a3ba56ebc9 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.18 C=CCN[C@H](C)c1ccnc(c1)C 499fc273122fc906af59c0c8763636c2 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.18 C=CCOC(C)c1cc(ccn1)C e8283189d589171140891a9c2231a798 [0,1,0,0,0,1|2,0,0]=4 914 B13R1.18 C=CCOC(C)c1cccc(c1)C 804fb51ec64ade01530c088173c1d175 [0,1,0,0,0,1|2,0,0]=4 915 B13R1.18 C=CCOC(C)c1cccc(n1)C 70cf4d3c1e87ffd5b92642fc22ff71ba [0,1,0,0,0,1|2,0,0]=4 916 B13R1.18 C=CCOC(C)c1ccnc(c1)C dd92a71ddda54980e9294469977fc4ff [0,1,0,0,0,1|2,0,0]=4 917 B13R1.18 C=CCO[C@@H](C)c1cccc(c1)C b66754179cf80c5ed0e33c7b14e5cef2 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.18 C=CCO[C@H](C)c1cc(ccn1)C c98aa4ed64edabae447f54a6dd393411 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.18 C=CCO[C@H](C)c1cccc(c1)C 89fca2c24f6f9b2bb8e4b1d05d9ba5e1 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.18 C=CCO[C@H](C)c1cccc(n1)C 17c8303f350f65a9886cba0c556daa8c [0,1,0,0,0,1|2,0,0]=4 921 B13R1.18 CC(CNC=O)c1cccc(c1)Br 31174c65c1d3d23fad848f976395b9be [0,1,0,0,0,1|2,0,0]=4 922 B13R1.18 CC(NCC=O)c1cc(ccn1)Cl 094614b9fcc9ffb545766ae20ad20b54 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.18 CC(NCC=O)c1cccc(c1)Br bf7c039a9278b24e0fdba2454441ea99 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 159b2ffdd3f7a1108c684c122192448d [0,1,0,0,0,1|2,0,0]=4 925 B13R1.18 CC(NCC=O)c1cccc(c1)F 766f4963a7bc880ad9fa91ae9941a798 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.18 CC(NCC=O)c1cccc(n1)Br 00abe00e6579ba9ab02ce4beec8baf6e [0,1,0,0,0,1|2,0,0]=4 927 B13R1.18 CC(NCC=O)c1cccc(n1)Cl 77e48ec0f1ede5a238bebd237bf279a1 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.18 CC(NCC=O)c1cccc(n1)F 1689b34efd618697aa1ecba55f0a3a3f [0,1,0,0,0,1|2,0,0]=4 929 B13R1.18 CC(NCC=O)c1cncc(c1)Br c464428395f44b26339bd849bd6334c6 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.18 CC(NCC=O)c1cncc(c1)F 0086491671ba7bba6db8cf40fe827220 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.18 CC(OCC=O)c1cc(ccn1)Br 75f77bce4c18943e2afbfb2cd4c062ae [0,1,0,0,0,1|2,0,0]=4 932 B13R1.18 CC(OCC=O)c1cc(ccn1)Cl cb86a973489561c29761ef3106f41b72 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.18 CC(OCC=O)c1cccc(c1)Br ac58db2bad4cb5f820dbc94cf298f4d1 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.18 CC(OCC=O)c1cccc(c1)Cl 7f1035dcc89b9207477372406451f984 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.18 CC(OCC=O)c1cccc(c1)F 065b000009d32a6e4c98b6c963880df4 [0,1,0,0,0,1|2,0,0]=4 936 B13R1.18 CC(OCC=O)c1cccc(c1)I c5a1b469e011d9582cb6ae74fc10ca74 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.18 CC(OCC=O)c1cccc(n1)Br b953be92a0828911a0e8977d0ff5b7d0 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.18 CC(OCC=O)c1cccc(n1)F ff81422383ae85fb662613e6e0f14e16 [0,1,0,0,0,1|2,0,0]=4 939 B13R1.18 CC(OCC=O)c1ccnc(c1)Br bad5576359a81f157621ab26ab049d75 [0,1,0,0,0,1|2,0,0]=4 940 B13R1.18 CC(OCC=O)c1ccnc(c1)Cl 86219b0a33f00f77b385bd36b8b66e74 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.18 CC(OCC=O)c1cncc(c1)Cl 809914f4d1e087af6a185070ab2541bb [0,1,0,0,0,1|2,0,0]=4 942 B13R1.18 CC(OCC=O)c1cncc(c1)F 72728fe650e86ab186ef7049bc13c73d [0,1,0,0,0,1|2,0,0]=4 943 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)Br 7585b73307b55520b7abca6f60ee7ec1 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)Cl 943b3a7d938af5a40c8e61ea0b7785a7 [0,1,0,0,0,1|2,0,0]=4 945 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 635e3501101e65882dc693339df207ae [0,1,0,0,0,1|2,0,0]=4 946 B13R1.18 C[C@@H](NCC=O)c1cccc(n1)Br 46fa1e9e8d7b5f9e62b1dd14e258275e [0,1,0,0,0,1|2,0,0]=4 947 B13R1.18 C[C@@H](NCC=O)c1ccnc(c1)Br cae3ffe3a5f820670b9972e212ed2604 [0,1,0,0,0,1|2,0,0]=4 948 B13R1.18 C[C@@H](NCC=O)c1ccnc(c1)Cl b25beb6b5c09bfc25d67e66522427806 [0,1,0,0,0,1|2,0,0]=4 949 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Br 26dd1e0fa04939cc23da9359a4a753d1 [0,1,0,0,0,1|2,0,0]=4 950 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Cl 091a6177dcb0848b4847a0c1a735fe39 [0,1,0,0,0,1|2,0,0]=4 951 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Br a80142b24908ae698693ee266c747702 [0,1,0,0,0,1|2,0,0]=4 952 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 03070f98fe2d4e84912fd93d756fae6f [0,1,0,0,0,1|2,0,0]=4 953 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)F 24c61dc02a33a360d9bd9f55f459bde3 [0,1,0,0,0,1|2,0,0]=4 954 B13R1.18 C[C@@H](OCC=O)c1cccc(n1)Br 3f9598eedac9565720e1300e67e793c1 [0,1,0,0,0,1|2,0,0]=4 955 B13R1.18 C[C@H](NCC=O)c1cccc(c1)Br 87b01cc74f05a3893e71544cc689d26d [0,1,0,0,0,1|2,0,0]=4 956 B13R1.18 C[C@H](NCC=O)c1cccc(c1)Cl 3b70e3c475386d638a8795b1911404ed [0,1,0,0,0,1|2,0,0]=4 957 B13R1.18 C[C@H](NCC=O)c1cccc(c1)F 61ba9137cf86c0a9b8cac736a40fa87f [0,1,0,0,0,1|2,0,0]=4 958 B13R1.18 C[C@H](NCC=O)c1cccc(c1)I eb6f5288907312ef0fbd5fd0e7fddd25 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.18 C[C@H](NCC=O)c1cccc(n1)Br 1c80b840dda7fe77ea2dc933e54d6300 [0,1,0,0,0,1|2,0,0]=4 960 B13R1.18 C[C@H](NCC=O)c1ccnc(c1)Cl 4a0c1aaabe06ecad0929e5ad5225029f [0,1,0,0,0,1|2,0,0]=4 961 B13R1.18 C[C@H](NCC=O)c1cncc(c1)Br cfe491631343d923971ec6d2ab24dd37 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.18 C[C@H](NCC=O)c1cncc(c1)Cl 9dc103903c34715b35bcf8a8d91e95be [0,1,0,0,0,1|2,0,0]=4 963 B13R1.18 C[C@H](NCC=O)c1cncc(c1)F 9e04f00612f8ba1aaae387c56c19f835 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.18 C[C@H](OCC=O)c1cccc(c1)Br 1f332da81650610084dc6ae5b4e19fd6 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.18 C[C@H](OCC=O)c1cccc(c1)Cl b2238194d492dacfe0d9b85e364dbc99 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.18 C[C@H](OCC=O)c1cccc(c1)F 9fe3350e1f20da5c424886817b152edc [0,1,0,0,0,1|2,0,0]=4 967 B13R1.18 Cc1cc(ccn1)C(C)NCC=O 328e3d4a25e7c787ab645f308a7a8211 [0,1,0,0,0,1|1,0,0]=3 968 B13R1.18 Cc1cc(ccn1)C(C)OCC=O 0c81255248d81702dcc55d26a51e41e2 [0,1,0,0,0,1|1,0,0]=3 969 B13R1.18 Cc1cc(ccn1)[C@@H](C)NCC=O 122069588079180295ddcfe395c475fe [0,1,0,0,0,1|1,0,0]=3 970 B13R1.18 Cc1cc(ccn1)[C@H](C)NCC=O b1046c7464e66dd248e77f35d5ed43b7 [0,1,0,0,0,1|1,0,0]=3 971 B13R1.18 Cc1cccc(c1)C(C)NCC=O 5c9a3c94a3733a00b1e7a8f68f89590e [0,1,0,0,0,1|1,0,0]=3 972 B13R1.18 Cc1cccc(c1)C(C)OCC=O a011e4ffad3e31c86b94946f46763bb9 [0,1,0,0,0,1|1,0,0]=3 973 B13R1.18 Cc1cccc(c1)N(C)CCC=O 53bf6234f12e42ad3359c88f8a6f7c67 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 9fb429d85973c744c5457992810359da [0,1,0,0,0,1|1,0,0]=3 975 B13R1.18 Cc1cccc(c1)[C@@H](C)OCC=O 740228f389d17495d1c04d739551e9d3 [0,1,0,0,0,1|1,0,0]=3 976 B13R1.18 Cc1cccc(c1)[C@H](C)NCC=O b81e1281486125e9a194117d2027225d [0,1,0,0,0,1|1,0,0]=3 977 B13R1.18 Cc1cccc(c1)[C@H](C)OCC=O c128b83013efc8b5a6badf5813a1c6ab [0,1,0,0,0,1|1,0,0]=3 978 B13R1.18 Cc1cccc(n1)C(C)NCC=O 917f552deb2cfb8aec4565be468ec573 [0,1,0,0,0,1|1,0,0]=3 979 B13R1.18 Cc1cccc(n1)C(C)OCC=O 923f02d67af38d78b544b8279a356aeb [0,1,0,0,0,1|1,0,0]=3 980 B13R1.18 Cc1cccc(n1)N(C)CCC=O 1353862356c480b698a995b09f2941c9 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.18 Cc1cccc(n1)[C@@H](C)OCC=O 8d8d32ec5b422e89076862e148c5bbd6 [0,1,0,0,0,1|1,0,0]=3 982 B13R1.18 Cc1cccc(n1)[C@H](C)NCC=O eea850abacbc45174a75895301d0452f [0,1,0,0,0,1|1,0,0]=3 983 B13R1.18 Cc1ccnc(c1)C(C)NCC=O 028dda92bcbd8e73e486f18f8d347e29 [0,1,0,0,0,1|1,0,0]=3 984 B13R1.18 Cc1ccnc(c1)C(C)OCC=O edafaf42e576877312796797de6e8daf [0,1,0,0,0,1|1,0,0]=3 985 B13R1.18 Cc1ccnc(c1)N(C)CCC=O ef4512cc183c3d6853bc3e75a0caf244 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.18 Cc1ccnc(c1)[C@@H](C)OCC=O 51c1fb30973ef98578a5915bd1642442 [0,1,0,0,0,1|1,0,0]=3 987 B13R1.18 Cc1ccnc(n1)N(C)CCC=O e081746f5120c5277de36b521c67fd7b [0,1,0,0,0,1|2,0,0]=4 988 B13R1.18 Cc1cncc(c1)N(C)CCC=O f5c1e69a2740e1017e6c86be799f7e1a [0,1,0,0,0,1|2,0,0]=4 989 B13R1.18 Cc1cncc(n1)N(C)CCC=O 05b3767cacd1333136f4f0a7c269719e [0,1,0,0,0,1|2,0,0]=4 990 B13R1.22 Cc1cccc(c1)N(C)C(C)C=O 92edcae29d06e1a719b3c7dcc6ff48c2 [0,1,0,0,0,1|2,0,0]=4 991 B13R1.22 Cc1cccc(c1)N(C)[C@H](C)C=O 8ef925aaede935164590c031bfcbc3e8 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.22 Cc1cccc(c1)[C@H](C)N(C)C=O e1ebdd69979e32b0f8e824ca5e98a949 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.22 Cc1cccc(n1)N(C)C(C)C=O 9f296d5254c1972437157c0ee4403ce4 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.22 Cc1cccc(n1)N(C)[C@H](C)C=O 9420a409011cce0fead30333b7de126f [0,1,0,0,0,1|2,0,0]=4 995 B13R1.22 Cc1ccnc(c1)N(C)C(C)C=O 2f70526f8d1e1e32947698890d483554 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.22 Cc1ccnc(c1)N(C)[C@H](C)C=O 751b47aed38144de13a2558a74655c97 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.22 Cc1ccnc(n1)N(C)C(C)C=O 02a8e4bd2d6caff9b640212d450db1c9 [0,1,0,0,0,1|2,0,0]=4 998 B13R1.22 Cc1ccnc(n1)N(C)[C@H](C)C=O a456f725e5b6f5b34a49364d42904b75 [0,1,0,0,0,1|2,0,0]=4 999 B13R1.22 Cc1cncc(c1)N(C)C(C)C=O 515248e3bed756fa9602bf1be538728a [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.22 Cc1cncc(c1)N(C)[C@H](C)C=O 830a026cc8f0efd7a5fe3cc20da6a532 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.22 Cc1cncc(n1)N(C)C(C)C=O 7e6301ead80f6b82a5104a4d244b3cfd [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.22 Cc1cncc(n1)N(C)[C@H](C)C=O 1549b255a97f65d4d6938b63f5968282 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.30 Cc1cc(ccn1)C(C)(C)NC=O 25a27def70d7adc92a997e068a7d5e31 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.30 Cc1cccc(c1)C(C)(C)NC=O b12e867cbe3f2d974029a92088632125 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.30 Cc1cccc(n1)C(C)(C)NC=O b7a9e3d4fdefd27bbde4a700e91bc1db [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C bd6553d2b2b8be280b52abdfc6ee7f36 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.147 CC(=O)NC(C)c1cccc(c1)C 14971e5fbf913c7babc025a53bbc3949 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.147 CC(=O)NC(C)c1cccc(n1)C e1dc0c7f49fc6decc6f2ee90af6e805d [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.147 CC(=O)NC(C)c1ccnc(c1)C c91398f606c70ee1a526e809a40fd076 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.147 CC(=O)N[C@@H](C)c1cccc(c1)C e310bc57134a3f11bb1df4efe0b199d9 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.147 CC(=O)N[C@@H](C)c1cccc(n1)C b4b770b2bcb8d49bbfcc12c93d9e8590 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.147 CC(=O)N[C@@H](C)c1ccnc(c1)C 6157eb539c9e885c572b5c5ba4dc9601 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 5b0e55eb31b6c8f104a9ff5d537418bb [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.147 CC(=O)N[C@H](C)c1ccnc(c1)C 9870f89d1b18ef525e962a276039e5ab [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N d46e07b34144a6ec8eb9422eb4857b51 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.147 Cc1cccc(c1)N(C)CC(=O)O 7072ec909a0ccb0cdac7557f0adf42dc [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.147 Cc1cccc(n1)N(C)CC(=O)N 212531d28605f887a8c1083e5b99c939 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.147 Cc1cccc(n1)N(C)CC(=O)O 9f0f2f0117f0d9ad46aec79b21a6e201 [0,1,0,0,0,1|2,0,0]=4 1019 B13R1.147 Cc1ccnc(c1)N(C)CC(=O)N 4298dc4e4481ced9dc8c9e36e5f5c486 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.147 Cc1ccnc(c1)N(C)CC(=O)O e419469d701994a582d4c1a0ba6d1111 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.147 Cc1ccnc(n1)N(C)CC(=O)N ac0837d59d3540ae08a27e89731ab94a [0,1,0,0,0,1|2,0,0]=4 1022 B13R1.147 Cc1ccnc(n1)N(C)CC(=O)O f77e1c639f3a0deb96f494bb80a15438 [0,1,0,0,0,1|2,0,0]=4 1023 B13R1.147 Cc1cncc(c1)N(C)CC(=O)N 41ee6fc2fbf07522ea286bf9d98159db [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.147 Cc1cncc(c1)N(C)CC(=O)O 6e34bd141ca4d686eed8789b3b1eb34f [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.147 Cc1cncc(n1)N(C)CC(=O)N c732e2de960c22c290df45bb46b5dd19 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.147 Cc1cncc(n1)N(C)CC(=O)O 8e486cd815464a1e73a2a7116ab57ffb [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.147 Cc1nccc(n1)N(C)CC(=O)N 04549bc01784c34c9da852ae57567b93 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.446 Cc1ccc(c(c1)C(C)NC=O)C 8894d203e40bfe20d4a0e07f2dcf7dcc [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.446 Cc1ccc(c(c1)N(C)CC=O)C 811e688da1027935433b0a575a160176 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.446 Cc1ccc(c(c1)[C@@H](C)NC=O)C eb0f872da7df82cb26a6bf604115af95 [0,1,0,0,0,1|2,0,0]=4 1031 B13R1.450 Cc1cc(cc(c1)C(C)NC=O)Br e3aaa8c13aba3196c7119ba41b2091d9 [0,1,0,0,0,1|2,0,0]=4 1032 B13R1.450 Cc1cc(cc(c1)C(C)NC=O)C 5f715cd156b6e97d7e28b23739b0bf45 [0,1,0,0,0,1|2,0,0]=4 1033 B13R1.450 Cc1cc(cc(c1)C(C)NC=O)F 3143375e134a709208a59a9362e3d84b [0,1,0,0,0,1|2,0,0]=4 1034 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)Br bf7acba2ab083ce37d387caba305703b [0,1,0,0,0,1|2,0,0]=4 1035 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)C ca5cbcc52302182d5a47cd0f99826f55 [0,1,0,0,0,1|2,0,0]=4 1036 B13R1.450 Cc1cc(cc(c1)[C@@H](C)NC=O)Br 652e832aa9ba6adfe050478926c115d1 [0,1,0,0,0,1|2,0,0]=4 1037 B13R1.450 Cc1cc(cc(n1)Cl)[C@@H](C)NC=O 1d1062474d22bb735ca030db17ba4f0d [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.450 Cc1cc(nc(n1)N(C)CC=O)Cl def35bfc48a7f4961b05e5ca5179df8e [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.450 Cc1nc(cc(n1)N(C)CC=O)Br fc0f8d492b4440b681a7982833bec1cc [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.450 Cc1nc(cc(n1)N(C)CC=O)Cl 37e288c2bbcb803c2807bb9cd9d46892 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.460 CCc1cccc(c1)N(C)CC=O a92409209789329f45db693ec90db223 [0,1,0,0,0,1|2,0,0]=4 1042 B13R1.460 CCc1cccc(n1)N(C)CC=O 3368dbbb2de23d0e0ef7044fce665bd7 [0,1,0,0,0,1|2,0,0]=4 1043 B13R1.460 CN(CC=O)c1cc(ccn1)CO e1e14a81cf1c41805e3066684444f27d [0,1,0,0,0,1|2,0,0]=4 1044 B13R1.460 CN(CC=O)c1cccc(c1)CO 46681d0dc8253ac404b2befbdf0a917a [0,1,0,0,0,1|2,0,0]=4 1045 B13R1.460 CN(CC=O)c1nccc(n1)CO 12e6113f904f6e3ed4230cb618520970 [0,1,0,0,0,1|2,0,0]=4 1046 B13R1.460 COc1cc(ccn1)C(C)NC=O a88d079d17609d7c9846a5bb530b989f [0,1,0,0,0,1|2,0,0]=4 1047 B13R1.460 COc1cc(ccn1)N(C)CC=O 9ed97d1cba7f82d2f0bcd37827dad1c5 [0,1,0,0,0,1|2,0,0]=4 1048 B13R1.460 COc1cc(ccn1)[C@@H](C)NC=O 775a850f604d815922180710d7470ef1 [0,1,0,0,0,1|2,0,0]=4 1049 B13R1.460 COc1cc(ccn1)[C@H](C)NC=O 2b2a19f3ef81d5b214424be113b8ec8f [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.460 COc1cccc(c1)C(C)NC=O 2c8ed30edf6d7492ead151f15c336057 [0,1,0,0,0,1|2,0,0]=4 1051 B13R1.460 COc1cccc(c1)N(C)CC=O e4893538b3200f51954090a2c45997a0 [0,1,0,0,0,1|2,0,0]=4 1052 B13R1.460 COc1cccc(c1)[C@@H](C)NC=O 39c7c1d9ac41cda7a31ab6b7110a13e7 [0,1,0,0,0,1|2,0,0]=4 1053 B13R1.460 COc1cccc(c1)[C@H](C)NC=O 1984d1bd86643883bcf206e9d55ab74d [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.460 COc1cccc(n1)C(C)NC=O 17e82880ab9ac99a452a3e49b807bbac [0,1,0,0,0,1|2,0,0]=4 1055 B13R1.460 COc1cccc(n1)N(C)CC=O 4f1bcf06903c044fedb905d97bc4a169 [0,1,0,0,0,1|2,0,0]=4 1056 B13R1.460 COc1cccc(n1)[C@@H](C)NC=O 63c50719818b2c0df2f3737acaa69855 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.460 COc1cccc(n1)[C@H](C)NC=O 3cbf3bffd9db04ff8fde41a6794ecbcc [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.460 COc1ccnc(c1)C(C)NC=O b299ae4173a03b913295d9a3c0a98e6b [0,1,0,0,0,1|2,0,0]=4 1059 B13R1.460 COc1ccnc(c1)N(C)CC=O 50f51c1a42d3461fa9c94f631a139e93 [0,1,0,0,0,1|2,0,0]=4 1060 B13R1.460 COc1ccnc(n1)N(C)CC=O 6943903ed213eced0825c019a81071f7 [0,1,0,0,0,1|2,0,0]=4 1061 B13R1.460 COc1cncc(c1)N(C)CC=O 08a1010a359433dd234301b1d7ab0ec6 [0,1,0,0,0,1|2,0,0]=4 1062 B13R1.460 CSc1cccc(c1)N(C)CC=O 09e03c6f8d914eaa058ef5e2723cbe69 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.43 C/C=C/CN(C)Cc1ccc(o1)C 096095ac8ca68447d6db37181f1af344 [0,1,0,0,0,1|2,0,0]=4 1064 B13R1.43 C/C=C\CN(C)Cc1ccc(o1)C 1bad29c5d360f0d152eb18d5c5f6193f [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.43 C=CCCC(C)Nc1ccc(s1)C 0c5637e09f44a0480725efdb5f58c73e [0,1,0,0,0,1|1,1,0]=4 1066 B13R1.43 C=CCCC(C)Nc1cnc(o1)C 89b84c2f351f36d7233a4c1744118524 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.43 C=CCCC(C)Nc1ncc(o1)C 0f5357f32239ff577869a71a04beacf2 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.43 C=CCCN(C)Cc1ccc(o1)C 05bffdb3ef53b49b472b6806ba20da8e [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.43 Cc1ccc(o1)CN(C)C/C=C/Cl f3408176ec9739b1a7c9128df5eacc9d [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.43 Cc1ccc(o1)CN(C)C/C=C\Cl 07d081ad9ad5d5d0f0ff1fe0c2ba540d [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.43 Cc1ccc(o1)CN(C)C/C=C\O 30c85b98e9a3099addcc2b9b58af124f [0,1,0,0,0,1|1,0,1]=4 1072 B13R1.43 Cc1ccc(o1)CN(C)CCC=O 7ff3c3211728fb73cb88dfca59f6fda0 [0,1,0,0,0,1|1,0,0]=3 1073 B13R1.43 Cc1ccc(o1)NC(C)CCCO 7d0d35874b9ca749923c3919eb4c0b16 [0,1,0,0,0,1|0,0,2]=4 1074 B13R1.43 Cc1ccc(o1)N[C@H](C)CCCO baf43af2e5de188dd68ac501931f995b [0,1,0,0,0,1|0,0,2]=4 1075 B13R1.43 Cc1ccc(s1)CN(C)CCC=O e4e9809370f086e681f7bdcba6ccdfbf [0,1,0,0,0,1|1,1,0]=4 1076 B13R1.43 Cc1ccn(n1)CC(C)CNC=O 68d2c9181363cb451b7cdab32fdb9318 [0,1,0,0,0,1|2,0,0]=4 1077 B13R1.43 Cc1ccn(n1)CC(C)NCC=O 95db9b924ab041b596b4553189cb1fab [0,1,0,0,0,1|2,0,0]=4 1078 B13R1.46 C=CCN(C)C(=O)c1ccc(o1)C 95890598fad009c4c6ed455fe31ed440 [0,1,0,0,0,1|2,0,0]=4 1079 B13R1.46 Cc1ccc(o1)N(C)C(C)CCO 8c79f1ee93c24a99a4b8a7b3305b3267 [0,1,0,0,0,1|0,0,2]=4 1080 B13R1.46 Cc1ccc(o1)N(C)[C@@H](C)CCO 05f6a27210eae7cd0fa4652380a0395d [0,1,0,0,0,1|0,0,2]=4 1081 B13R1.78 CCC(COC)Nc1ccc(o1)C 6b03b46e40e97208eb4170877a005b8e [0,1,0,0,0,1|2,0,0]=4 1082 B13R1.78 CCCC(CO)Nc1ccc(o1)C c8022bd4a42620f065fc94c28aca0ee8 [0,1,0,0,0,1|1,0,1]=4 1083 B13R1.78 CCC[C@@H](CO)Nc1ccc(o1)C 9db6c0768cc7b15fb6419077d5978c31 [0,1,0,0,0,1|1,0,1]=4 1084 B13R1.78 CCC[C@H](CO)Nc1ccc(o1)C f253d117bb7203c8f3264d7b40f10ac9 [0,1,0,0,0,1|1,0,1]=4 1085 B13R1.78 COCC(CO)Nc1ccc(o1)C c103400401f76af6117859bf782f4939 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.78 CSCC(CO)Nc1ccc(o1)C e5c68f93971862432b6622d40df3666e [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.78 Cc1ccc(o1)NC(CO)CCO ba98518ab6ba0415801f5d20c84fe9a6 [0,1,0,0,0,1|0,0,2]=4 1088 B13R1.78 Cc1ccc(o1)N[C@@H](CO)CCO f3406894760fc786e7e5cef3085b9912 [0,1,0,0,0,1|0,0,2]=4 1089 B13R1.134 C=CC(C)N(C)Cc1ccc(o1)C 6cab6cb44b4dd180682089352d38fa3d [0,1,0,0,0,1|2,0,0]=4 1090 B13R1.134 CCC(C)C(C)Nc1ccc(o1)C 9fcbcb1aad5600acf14f3313bf9b61e5 [0,1,0,0,0,1|1,0,1]=4 1091 B13R1.134 Cc1ccc(o1)CN(C)C(=O)C=O ab8a06250e01be5c2f90d3175cd9b8be [0,1,0,0,0,1|1,0,1]=4 1092 B13R1.134 Cc1ccc(o1)CN(C)C(C)C=O c2b66b4c0b6ca959e14caf94f0d23823 [0,1,0,0,0,1|1,0,0]=3 1093 B13R1.134 Cc1ccc(o1)CN(C)[C@H](C)C=O 5f1552be419a36dcb6f09fe80ce472e7 [0,1,0,0,0,1|1,0,0]=3 1094 B13R1.134 Cc1ccc(s1)CN(C)C(C)C=O 00296d4191d1e994e9fec6dd73768e6d [0,1,0,0,0,1|1,1,0]=4 1095 B13R1.134 Cc1ccc(s1)CN(C)[C@H](C)C=O 50c1e85bbabe814ee3697f4a157a40cd [0,1,0,0,0,1|1,1,0]=4 1096 B13R1.689 C=CCN(C)Cc1ccc(o1)CO 49bd441a39d82fba90791bc3e212256f [0,1,0,0,0,1|2,0,0]=4 1097 B13R1.689 CCc1ccc(o1)NC(C)CCO fe05ac2106348589d7a806fa2369fc8b [0,1,0,0,0,1|0,0,2]=4 1098 B13R1.689 CCc1ccc(o1)NC(C)COC d58347eddd9b5974add77b2a273d7d45 [0,1,0,0,0,1|2,0,0]=4 1099 B13R1.689 CCc1ccc(o1)N[C@@H](C)CCO c1ba76e6ed92d7475dd428d8b59f1c61 [0,1,0,0,0,1|0,0,2]=4 1100 B13R1.689 CCc1ccc(o1)N[C@@H](C)COC dfce80685496e1e3159dcc4e9060c3e6 [0,1,0,0,0,1|2,0,0]=4 1101 B13R1.689 CCc1ccc(o1)N[C@H](C)CCO 3cee5bdcfc3e025da9872ad1a1d5f8fa [0,1,0,0,0,1|0,0,2]=4 1102 B13R1.689 CCc1ccc(o1)N[C@H](C)COC f2b454925d02c27859309c3b9f92496d [0,1,0,0,0,1|2,0,0]=4 1103 B13R1.689 CCc1ccc(s1)CN(C)CC=O 3b6119b34f0bd78e6171b315e3ee62e6 [0,1,0,0,0,1|1,1,0]=4 1104 B13R1.689 CN(CC=O)Cc1ccc(o1)CO d4cb3d44f0aaf32dbda07ec161c97a39 [0,1,0,0,0,1|1,0,0]=3 1105 B13R1.1326 COCC(C)(C)Nc1ccc(o1)C 79a0b69f8ff7822caa454c3632b1c77f [0,1,0,0,0,1|2,0,0]=4 1106 B13R1.1326 CSCC(C)(C)Nc1ccc(o1)C cbd42691eb4fd0832258a5dfbf1dcd4a [0,1,0,0,0,1|2,0,0]=4 1107 B13R1.1326 Cc1ccc(o1)NC(C)(C)CCO f55118aad60ea11e4ae283bc6f50a826 [0,1,0,0,0,1|0,0,2]=4 1108 B13R1.3424 C=C(Br)CN(C)Cc1ccc(o1)C 3319588f5b0bfa3b6c27695c224e0445 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C e9605067ebb993b3c7da4dd1432e77e3 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.3424 C=C(Cl)CN(C)Cc1ccc(o1)C 6d5787df39308a5a2efd4a283b1743db [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.3424 C=C(F)CN(C)Cc1ccc(o1)C 3811ffe6950462e529c43fa89aa990cf [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.3424 CC(=O)OC(C)Nc1ccc(s1)C 5bbe58e4d2914d2aaf5f4add3999f038 [0,1,0,0,0,1|1,1,0]=4 1113 B13R1.3424 CC(=O)OC(C)Nc1cnc(o1)C ee1f4aec50c88464f86861d120da7ded [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.3424 CC(=O)OC(C)Nc1ncc(o1)C bc49efd776e64f1e77f33a874da7d6ee [0,1,0,0,0,1|2,0,0]=4 1115 B13R1.3424 CC(CC(=O)O)Nc1ccc(s1)F f5df5207a55287e0b145ff90661dda25 [0,1,0,0,0,1|1,1,0]=4 1116 B13R1.3424 CC(CC(=O)O)Nc1ccn(n1)C 643fef575c8b6d979964864dce2cf1e6 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.3424 CC(CC(=O)O)Oc1ccn(n1)C f4c15c653851549723d4cdc3c1fe6298 [0,1,0,0,0,1|2,0,0]=4 1118 B13R1.3424 C[C@@H](CC(=O)O)Nc1ccc(s1)F 3b85c3cf9e4edef9acd182e8e4e0660c [0,1,0,0,0,1|1,1,0]=4 1119 B13R1.3424 C[C@@H](CC(=O)O)Nc1ccn(n1)C 136f4ea80fa71ff4fd604133ca18153a [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.3424 C[C@H](CC(=O)O)Nc1ccc(s1)F 30142d24d52f602193895186deb5841b [0,1,0,0,0,1|1,1,0]=4 1121 B13R1.3424 C[C@H](CC(=O)O)Nc1ccn(n1)C c0349192fa13a8ea7abc8cae3e4e0695 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N c700f5f9e0fdb78751b7e508bcf66ec1 [0,1,0,0,0,1|1,0,0]=3 1123 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)O 45c65fc6185385981039e42abf74d912 [0,1,0,0,0,1|1,0,0]=3 1124 B13R1.3424 Cc1ccc(o1)CN(C)C[N+](=O)[O-] e23d275809e008121e7c8dfc4485dc47 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.3424 Cc1ccc(o1)NC(C)CC(=O)O bbc78febdbd0c5f332dec329906ffe0d [0,1,0,0,0,1|0,0,0]=2 1126 B13R1.3424 Cc1ccc(o1)NC(C)CN(C)C 931b3a46812d7df43d36c9a91d3a5ed4 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.3424 Cc1ccc(o1)N[C@@H](C)CC(=O)O 3fa77b5ee7159be4446cb207128db30b [0,1,0,0,0,1|0,0,0]=2 1128 B13R1.3424 Cc1ccc(o1)N[C@@H](C)CN(C)C 8f08cfed4574955a18e38bc15b8ccbba [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.3424 Cc1ccc(o1)N[C@H](C)CC(=O)O ec86ffe6a399cdd554fec73342538610 [0,1,0,0,0,1|0,0,0]=2 1130 B13R1.3424 Cc1ccc(o1)N[C@H](C)CN(C)C 717caebf4b9e010ba8e33463834d641b [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 0cb72dc57b9dc7793fa4a110ffde3cfa [0,1,0,0,0,1|1,1,0]=4 1132 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)O 55b0782e3b27bb0318fac2861db01c59 [0,1,0,0,0,1|1,1,0]=4 1133 B13R1.3424 Cc1cnc([nH]1)NC(C)CC(=O)O 7f551576e1c539bd693975cda641abf0 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.3424 Cc1cnc([nH]1)N[C@@H](C)CC(=O)O 5335fff6ba77ed4bbfac7d98606c0df4 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.3424 Cc1cnc([nH]1)N[C@H](C)CC(=O)O 8c8a70d72507d148d2683877914b7afe [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.3424 Cc1cnc(o1)CN(C)CC(=O)N b30830a41bcf7e543e60ac282be91283 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.3424 Cc1cnc(o1)CN(C)CC(=O)O fdfd36b4140ff99c58b0fcd65f8ae44f [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.3424 Cc1cnc(o1)NC(C)CC(=O)O cd1f9e06d6c285cd36ec8333750ad985 [0,1,0,0,0,1|1,0,0]=3 1139 B13R1.3424 Cc1csc(c1)NC(C)CC(=O)O a288e0f5758cffb47afbe64af1913322 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.3424 Cc1csc(c1)N[C@@H](C)CC(=O)O 94d89c82c382417eaaef58d7b2c6e390 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.3424 Cc1csc(c1)N[C@H](C)CC(=O)O 65e5a44aa15e4f2510d4a45f446dd5e4 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.3424 Cc1csc(c1)OC(C)CC(=O)O cf3c5693d56d4dee79917f66250d39bd [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.3424 Cc1csc(n1)NC(C)CC(=O)O 626fa7e3728d9df1c507d20f24906d30 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.3424 Cc1csc(n1)N[C@@H](C)CC(=O)O 76b0b8034631a6710f1acf417ce3e37f [0,1,0,0,0,1|2,0,0]=4 1145 B13R1.3424 Cc1csc(n1)N[C@H](C)CC(=O)O 79493ef8ef03ff0ad32f6c0241a8dd5f [0,1,0,0,0,1|2,0,0]=4 1146 B13R1.3424 Cc1nc(cs1)NC(C)CC(=O)O 466a95a20d46a7e43b56d14ff56ecadd [0,1,0,0,0,1|2,0,0]=4 1147 B13R1.3424 Cc1nc(cs1)N[C@@H](C)CC(=O)O 90d35621ef73bfb169e58acfb4a76b47 [0,1,0,0,0,1|2,0,0]=4 1148 B13R1.3424 Cc1nc(cs1)N[C@H](C)CC(=O)O 57fe708431d857bdf0ab62d3786c86be [0,1,0,0,0,1|2,0,0]=4 1149 B13R1.3424 Cc1ncc(o1)CN(C)CC(=O)N 79eb1b2558822af68141151ac18bcc85 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.3424 Cc1ncc(o1)CN(C)CC(=O)O 750842faf5756ebf4f17999670815831 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.3424 Cc1ncc(s1)NC(C)CC(=O)O a7b3297b4c64f04158b62116b1c3152c [0,1,0,0,0,1|1,1,0]=4 1152 B13R1.3424 Cc1ncc(s1)N[C@@H](C)CC(=O)O 37e8211ae996d87981ea4c8c9ae9c534 [0,1,0,0,0,1|1,1,0]=4 1153 B13R1.3424 Cc1ncc(s1)N[C@H](C)CC(=O)O c6f15ba9e77c99d1a4f1a1670cc8152d [0,1,0,0,0,1|1,1,0]=4 1154 B13R1.3424 Cc1nnc(o1)NC(C)CC(=O)O 36f47892fb8be3930468a8d7ca3f9c37 [0,1,0,0,0,1|2,0,0]=4 1155 B13R1.3424 Cc1nnc(o1)N[C@@H](C)CC(=O)O 04bcf910b8b35b5b4b24e9daf2a4a0e2 [0,1,0,0,0,1|2,0,0]=4 1156 B13R1.3424 Cc1nnc(o1)N[C@H](C)CC(=O)O b7ae30da143ddf2e03c804059246617e [0,1,0,0,0,1|2,0,0]=4 1157 B13R1.25 C#CCNC(CC)c1ccc(o1)C 0b4d28234b83054a48a280838e94fdc4 [0,2,0,0,0,0|1,0,1]=4 1158 B13R1.25 C#CCN[C@@H](CC)c1ccc(o1)C 2ba851199947f2116d03613d33729704 [0,2,0,0,0,0|1,0,1]=4 1159 B13R1.25 C#CCN[C@@H](CO)c1ccc(o1)C 864d02147fa8746d7c7843e189ec97c9 [0,2,0,0,0,0|1,0,1]=4 1160 B13R1.25 C#CCN[C@H](CC)c1ccc(o1)C 7652688eb48b6097ef55425a5829deeb [0,2,0,0,0,0|1,0,1]=4 1161 B13R1.25 C#CCN[C@H](CO)c1ccc(o1)C 947807872f6ca596cc309124018fc8ef [0,2,0,0,0,0|1,0,1]=4 1162 B13R1.25 C=CCNC(CC)c1ccc(o1)C 0fb19afd07d46fb8df65f6fe55850ff8 [0,2,0,0,0,0|1,0,0]=3 1163 B13R1.25 C=CCN[C@@H](CC)c1ccc(o1)C b904143f2735783e9914e63dba628d79 [0,2,0,0,0,0|1,0,0]=3 1164 B13R1.25 C=CCN[C@@H](CO)c1ccc(o1)C a4560fd6c3a15b3f6171c454631e169b [0,2,0,0,0,0|1,0,0]=3 1165 B13R1.25 C=CCN[C@H](CC)c1ccc(o1)C c3a418ec57059dd27d688c377a5e2b9c [0,2,0,0,0,0|1,0,0]=3 1166 B13R1.25 C=CCN[C@H](CO)c1ccc(o1)C 0f45355a52a34b0f406945226c2ca715 [0,2,0,0,0,0|1,0,0]=3 1167 B13R1.25 CCC(NCC#N)c1ccc(o1)C 3eb9e62c659890239308f5b615fa7d27 [0,2,0,0,0,0|1,0,1]=4 1168 B13R1.25 CCC(NCC=O)c1ccc(o1)C 3c30931e3218ff0f23d083cd59320213 [0,2,0,0,0,0|0,0,0]=2 1169 B13R1.25 CCC(NCC=O)c1ccc(s1)Cl e06c91dbaae45c4066e9d0b77b294e60 [0,2,0,0,0,0|1,1,0]=4 1170 B13R1.25 CCC(NCC=O)c1ccn(n1)C 0b6e4e34823a5746d02c2c7e6faae42c [0,2,0,0,0,0|2,0,0]=4 1171 B13R1.25 CCC(NCCF)c1ccc(o1)C 93aa0273aa48e6c52565a3599033fccd [0,2,0,0,0,0|1,0,1]=4 1172 B13R1.25 CCC(NCCO)c1ccc(o1)C 6302b945a0a35e65902582d58094ddf4 [0,2,0,0,0,0|0,0,2]=4 1173 B13R1.25 CCC(NCCS)c1ccc(o1)C 77a40075b4aa61d920e08ba4a9b3c412 [0,2,0,0,0,0|0,1,1]=4 1174 B13R1.25 CCC(NCOC)c1ccc(o1)C 6ed720aa49f224a980979844b55b5f7f [0,2,0,0,0,0|2,0,0]=4 1175 B13R1.25 CCC(NCSC)c1ccc(o1)C a46ae8fd5af6b65b61cf5992c0503c8c [0,2,0,0,0,0|2,0,0]=4 1176 B13R1.25 CCC(OCC=O)c1ccc(s1)Br 4c0d8f696f8efda32b11b41bb6a0b71b [0,2,0,0,0,0|1,1,0]=4 1177 B13R1.25 CCC(OCC=O)c1csc(c1)C ae716301fb487cd5d9bb1482100ad941 [0,2,0,0,0,0|2,0,0]=4 1178 B13R1.25 CCC(OCC=O)c1nc(cs1)C 34cf22445de21dcf1a9a3d5473977f63 [0,2,0,0,0,0|2,0,0]=4 1179 B13R1.25 CCC(OCC=O)c1ncc(s1)C dd8ad5a5c9eeafce2e52148df1bb1a4b [0,2,0,0,0,0|1,1,0]=4 1180 B13R1.25 CCCNC(CC)c1ccc(o1)C e9095f35b7572be2014eb0694743779a [0,2,0,0,0,0|1,0,1]=4 1181 B13R1.25 CCCN[C@@H](CC)c1ccc(o1)C 377308ccf284cde11b115fa4e89dba8f [0,2,0,0,0,0|1,0,1]=4 1182 B13R1.25 CCCN[C@@H](CO)c1ccc(o1)C fb25bdfb5bfa8108a6567a2d84ff21df [0,2,0,0,0,0|1,0,1]=4 1183 B13R1.25 CCCN[C@H](CC)c1ccc(o1)C ac9058eddc342c0895f91fa83d78a781 [0,2,0,0,0,0|1,0,1]=4 1184 B13R1.25 CCCN[C@H](CO)c1ccc(o1)C e00507c498597c59c2a4a6ba7affcc26 [0,2,0,0,0,0|1,0,1]=4 1185 B13R1.25 CC[C@@H](NCC#N)c1ccc(o1)C 2fe9d06abdfdcb68548b7e9d9eb21827 [0,2,0,0,0,0|1,0,1]=4 1186 B13R1.25 CC[C@@H](NCC=O)c1ccc(o1)C e1bdc0d4ddfc46280a8569d0c1750056 [0,2,0,0,0,0|0,0,0]=2 1187 B13R1.25 CC[C@@H](NCCF)c1ccc(o1)C 380ffb901cd55cb81492bde49a36e14f [0,2,0,0,0,0|1,0,1]=4 1188 B13R1.25 CC[C@@H](NCCO)c1ccc(o1)C 4c7770b0ca62da3ff2125f19735a92f8 [0,2,0,0,0,0|0,0,2]=4 1189 B13R1.25 CC[C@@H](NCCS)c1ccc(o1)C d0c73b7fd90bca1fbc5eb0ba6ab7af28 [0,2,0,0,0,0|0,1,1]=4 1190 B13R1.25 CC[C@@H](NCOC)c1ccc(o1)C 69df3c104442f6fe00cb213072cce1b4 [0,2,0,0,0,0|2,0,0]=4 1191 B13R1.25 CC[C@@H](NCSC)c1ccc(o1)C b9470c30984f539f2bfc543a95f9a98d [0,2,0,0,0,0|2,0,0]=4 1192 B13R1.25 CC[C@H](NCC#N)c1ccc(o1)C db691c1b04084852e30b5b3add3c6f49 [0,2,0,0,0,0|1,0,1]=4 1193 B13R1.25 CC[C@H](NCC=O)c1ccc(o1)C 1e176e78e10f51d6c80e9deee494a7eb [0,2,0,0,0,0|0,0,0]=2 1194 B13R1.25 CC[C@H](NCCF)c1ccc(o1)C ad0b749dfe135c9975c1876b0e0f95bf [0,2,0,0,0,0|1,0,1]=4 1195 B13R1.25 CC[C@H](NCCO)c1ccc(o1)C 35c5e9c20e7c4863e57e657ccf0ce5bd [0,2,0,0,0,0|0,0,2]=4 1196 B13R1.25 CC[C@H](NCCS)c1ccc(o1)C a788f95c8afa406886276d90008fafeb [0,2,0,0,0,0|0,1,1]=4 1197 B13R1.25 CC[C@H](NCOC)c1ccc(o1)C bdc57f0ac94830ffff6488d849d6e21c [0,2,0,0,0,0|2,0,0]=4 1198 B13R1.25 CC[C@H](NCSC)c1ccc(o1)C 992a9d6d8bf4ccd43f91c905586cfb90 [0,2,0,0,0,0|2,0,0]=4 1199 B13R1.25 COCN[C@@H](CO)c1ccc(o1)C d258667f54a2d62992ea441685df3708 [0,2,0,0,0,0|2,0,0]=4 1200 B13R1.25 COCN[C@H](CO)c1ccc(o1)C 3524da9e3455c6779ce3add0d6c9760d [0,2,0,0,0,0|2,0,0]=4 1201 B13R1.25 CSCN[C@@H](CO)c1ccc(o1)C f7471a9f4582ca8141b3a7deff274cd6 [0,2,0,0,0,0|2,0,0]=4 1202 B13R1.25 CSCN[C@H](CO)c1ccc(o1)C 5ee3a89d28a53b0644ffd6e195b67483 [0,2,0,0,0,0|2,0,0]=4 1203 B13R1.25 Cc1ccc(o1)[C@@H](CO)NCC#N 8c90307753f50602fb246c72b3e7a285 [0,2,0,0,0,0|1,0,1]=4 1204 B13R1.25 Cc1ccc(o1)[C@@H](CO)NCC=O 8aa6b1120a62b967063eb55f95076b0e [0,2,0,0,0,0|0,0,0]=2 1205 B13R1.25 Cc1ccc(o1)[C@@H](CO)NCCF 9b640074f2c66ee01fcfca537b862d23 [0,2,0,0,0,0|1,0,1]=4 1206 B13R1.25 Cc1ccc(o1)[C@@H](CO)NCCO 9773f7a213d8e830ad2fa82daefcd958 [0,2,0,0,0,0|0,0,2]=4 1207 B13R1.25 Cc1ccc(o1)[C@@H](CO)NCCS 0483332d8670af8268024d3bb7fa95bb [0,2,0,0,0,0|0,1,1]=4 1208 B13R1.25 Cc1ccc(o1)[C@H](CO)NCC#N 6abcac846f7a1855c5bd341154500d91 [0,2,0,0,0,0|1,0,1]=4 1209 B13R1.25 Cc1ccc(o1)[C@H](CO)NCC=O 088b3941963294f24b0a8267c4bb9611 [0,2,0,0,0,0|0,0,0]=2 1210 B13R1.25 Cc1ccc(o1)[C@H](CO)NCCF 58852578d6d612329e4b61867a935867 [0,2,0,0,0,0|1,0,1]=4 1211 B13R1.25 Cc1ccc(o1)[C@H](CO)NCCO 1fece5ea5af0c1b227a1ac8b7b0905dd [0,2,0,0,0,0|0,0,2]=4 1212 B13R1.25 Cc1ccc(o1)[C@H](CO)NCCS 1a7422bcc8fcc666c4dccb84848ed56e [0,2,0,0,0,0|0,1,1]=4 1213 B13R1.397 C=CCN(CC=C)c1ccc(o1)C 9be3159311f9c968e959eed0118260c6 [0,2,0,0,0,0|2,0,0]=4 1214 B13R1.397 C=CCN(CCC)c1ccc(o1)C 5189461be27ed3ae98fa16d977c8bdc9 [0,2,0,0,0,0|2,0,0]=4 1215 B13R1.397 C=CCN(CCO)c1ccc(o1)C 679014ce808c1bd36ae7b5341958ae50 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.397 CCN[C@H](CCO)c1ccc(o1)C 27e3111ea5a395d256945a170f521f37 [0,2,0,0,0,0|0,0,2]=4 1217 B13R1.397 Cc1ccc(o1)[C@@H](CCO)NC=O 3ec4d3a3219aad139c839f8daef05731 [0,2,0,0,0,0|1,0,0]=3 1218 B13R1.397 Cc1ccc(o1)[C@@H](CCO)NCF bfce602567b5367a4b756d0a6b4fc8cc [0,2,0,0,0,0|0,0,2]=4 1219 B13R1.397 Cc1ccc(o1)[C@@H](CCO)NCO 8835ba3bc8081ac24a79101f41ae81ca [0,2,0,0,0,0|0,0,2]=4 1220 B13R1.399 C=CCN(c1ccc(o1)C)C(C)C cf5cdf3fff7465268597783b63c1dcb7 [0,2,0,0,0,0|2,0,0]=4 1221 B13R1.712 C=C(C)CN(CC)c1ccc(o1)C 36b7e4692b08bd4cf8fb40c2cbc9b70c [0,2,0,0,0,0|2,0,0]=4 1222 B13R1.712 CC(=O)N[C@@H](CO)c1ccc(o1)C 68c5f06b995e666b5e12e476dbb52ea5 [0,2,0,0,0,0|1,0,0]=3 1223 B13R1.712 CC(=O)N[C@H](CO)c1ccc(o1)C e456967f4362040bc2e7663b1e53742a [0,2,0,0,0,0|1,0,0]=3 1224 B13R1.712 CCC(NC(=O)C)c1ccc(o1)C 3d8e0d569d1c1fb170a10d5eca20de77 [0,2,0,0,0,0|1,0,0]=3 1225 B13R1.712 CC[C@@H](NC(=O)C)c1ccc(o1)C 517b899ffddca9bd42aae9f54d911aba [0,2,0,0,0,0|1,0,0]=3 1226 B13R1.712 CC[C@H](NC(=O)C)c1ccc(o1)C ab3f8a4b3b1a907cb05857b26fed57b2 [0,2,0,0,0,0|1,0,0]=3 1227 B13R1.10 C#CC(=O)NC(C)c1ccc(o1)C 4cc333fed7e09887e115b47ab8399746 [0,2,0,0,0,0|1,0,0]=3 1228 B13R1.10 C#CC(=O)N[C@@H](C)c1ccc(s1)C d2af069af4f1ad81b33f1751888feb62 [0,2,0,0,0,0|1,1,0]=4 1229 B13R1.10 C#CC(=O)N[C@H](C)c1ccc(o1)C 18f629e9462fcdbdb20bb6858400bcbe [0,2,0,0,0,0|1,0,0]=3 1230 B13R1.10 C=CC(=O)NC(C)c1ccc(o1)C 797627f0010bb9e3aa076554a5d5c2fb [0,2,0,0,0,0|1,0,0]=3 1231 B13R1.10 C=CC(=O)N[C@@H](C)c1ccc(s1)C aa74d60a8dc02dc7e4863b0b9a4b9f9b [0,2,0,0,0,0|1,1,0]=4 1232 B13R1.10 C=CC(=O)N[C@H](C)c1ccc(o1)C 864097635d56178dd84a6d8a0b2e3aa5 [0,2,0,0,0,0|1,0,0]=3 1233 B13R1.10 C=CC(C)NC(C)c1ccc(o1)C 689bbc39909a0a19b2abad6a35177dde [0,2,0,0,0,0|1,0,0]=3 1234 B13R1.10 C=CC(C)N[C@@H](C)c1ccc(s1)C ed468e3190bc130e9daf0df3c4076d5a [0,2,0,0,0,0|1,1,0]=4 1235 B13R1.10 C=CC(C)N[C@H](C)c1ccc(o1)C a104f4079a5750cb50264273a19c73bb [0,2,0,0,0,0|1,0,0]=3 1236 B13R1.10 C=CC(C)O[C@H](C)c1ccc(s1)C 91a4eaef410d92772fc34ff1460a20e3 [0,2,0,0,0,0|1,1,0]=4 1237 B13R1.10 CC(C=O)NC(C)c1ccc(s1)Br eb4cbd7a90990d764dde5e1a1037f1c3 [0,2,0,0,0,0|1,1,0]=4 1238 B13R1.10 CC(C=O)NC(C)c1ccc(s1)Cl 6a6cbbf7a956dd8f89b88f6591a0baeb [0,2,0,0,0,0|1,1,0]=4 1239 B13R1.10 CC(C=O)NC(C)c1ccn(n1)C a547c489110335d704ba9d71d161250d [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.10 CC(C=O)N[C@H](C)c1ccc(s1)Br 5d09deae941c1b4aa50169283c593cf9 [0,2,0,0,0,0|1,1,0]=4 1241 B13R1.10 CC(C=O)N[C@H](C)c1ccc(s1)Cl 8cc257f37799c7e2200d550c2afa920c [0,2,0,0,0,0|1,1,0]=4 1242 B13R1.10 CC(C=O)OC(C)c1ccc(s1)Cl b595a6a475cdfabb5833e795402eb89a [0,2,0,0,0,0|1,1,0]=4 1243 B13R1.10 CC(C=O)OC(C)c1ccn(n1)C e94829c2f5d16af09ca51e162bcd5833 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.10 CC(C=O)O[C@H](C)c1ccc(s1)Br 9b071298eb7d2fe83f6d2a6fb96238d4 [0,2,0,0,0,0|1,1,0]=4 1245 B13R1.10 CC(N[C@H](C)C=O)c1ccc(s1)Br c507623855987d869616845f318a86ef [0,2,0,0,0,0|1,1,0]=4 1246 B13R1.10 CC(N[C@H](C)C=O)c1ccc(s1)Cl a8b92a0e79eb13aec00ef9ed6cd27589 [0,2,0,0,0,0|1,1,0]=4 1247 B13R1.10 CC(N[C@H](C)C=O)c1ccn(n1)C f2084d74ad9bf05295f16c19358742b2 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.10 CC(O[C@H](C)C=O)c1ccc(s1)Cl 7a516971d6a00c3f635ccd93a901f127 [0,2,0,0,0,0|1,1,0]=4 1249 B13R1.10 CC(O[C@H](C)C=O)c1ccn(n1)C cc5bf9371566be49f83cddbf2b23cf53 [0,2,0,0,0,0|2,0,0]=4 1250 B13R1.10 CCC(=O)NC(C)c1ccc(o1)C 62bf816130594a8acf4a761f9ac279ee [0,2,0,0,0,0|1,0,0]=3 1251 B13R1.10 CCC(=O)N[C@@H](C)c1ccc(s1)C 456f60a74a7ef6f6ee1a0891647c41c9 [0,2,0,0,0,0|1,1,0]=4 1252 B13R1.10 CCC(=O)N[C@H](C)c1ccc(o1)C 94277536841c6b8efa3623c08f53ca2a [0,2,0,0,0,0|1,0,0]=3 1253 B13R1.10 CCC(C)NC(C)c1ccc(o1)C 739ba72973252d406bda984040dfe5be [0,2,0,0,0,0|1,0,1]=4 1254 B13R1.10 CCC(C)N[C@H](C)c1ccc(o1)C d020f3a4ab01415601b8bb9509e3d6e4 [0,2,0,0,0,0|1,0,1]=4 1255 B13R1.10 CNC(=O)CN(C)c1ccc(o1)C fc12d74dc1ae32e996c5cbbbb3100d21 [0,2,0,0,0,0|1,0,0]=3 1256 B13R1.10 CNC(=O)CN(C)c1ccc(s1)C 735ded2c3320c829a19cdf1f4c9567fa [0,2,0,0,0,0|1,1,0]=4 1257 B13R1.10 CNC(=O)CN(C)c1ncc(o1)C d73deb2d4b01820584463b5bf26f720b [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.10 COC(=O)CN(C)c1ccc(o1)C 4e2be2848abc38661b714344feb2ede2 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.10 COC(=O)CN(C)c1ncc(o1)C 453e1b43818c82dd7e31c72da88943a5 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.10 C[C@H](C=O)N[C@H](C)c1ccc(s1)Br be7c2109bebda5b67cfe7d66cc662f62 [0,2,0,0,0,0|1,1,0]=4 1261 B13R1.10 C[C@H](C=O)N[C@H](C)c1ccc(s1)Cl 254a8b4ffb478c1a482c9171b70900db [0,2,0,0,0,0|1,1,0]=4 1262 B13R1.10 C[C@H](C=O)O[C@H](C)c1ccc(s1)Br d5a0f061183218ca182ba496eaa24383 [0,2,0,0,0,0|1,1,0]=4 1263 B13R1.10 Cc1cc(cs1)C(C)OC(C)C=O e1e7b7ef28c18b92cf270a1da7b8261a [0,2,0,0,0,0|2,0,0]=4 1264 B13R1.10 Cc1cc(cs1)C(C)O[C@H](C)C=O 14b9536e4cc0dcf72c01c1bf6d38abaa [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.10 Cc1ccc(o1)C(C)NC(=O)C=O 8897e3a60640ad800a47ad0874b04461 [0,2,0,0,0,0|0,0,1]=3 1266 B13R1.10 Cc1ccc(o1)C(C)NC(=O)CF ac1c759f1e7a40094a4d9f291bee9cd3 [0,2,0,0,0,0|1,0,0]=3 1267 B13R1.10 Cc1ccc(o1)C(C)NC(=O)CO 3262ddb706a2b31b2247a428169ef6e4 [0,2,0,0,0,0|1,0,0]=3 1268 B13R1.10 Cc1ccc(o1)C(C)NC(=O)CS 40ec114d38432f205fc0e3ee6399b3f3 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.10 Cc1ccc(o1)C(C)NC(C)C=O 643046b4fa9f472d7787ff07880f4267 [0,2,0,0,0,0|0,0,0]=2 1270 B13R1.10 Cc1ccc(o1)C(C)NC(C)CO d3e3d70537ddf11fea0ad463ed22e438 [0,2,0,0,0,0|0,0,2]=4 1271 B13R1.10 Cc1ccc(o1)C(C)N[C@@H](C)CO a98fc836021b523b38454eaa62cadb96 [0,2,0,0,0,0|0,0,2]=4 1272 B13R1.10 Cc1ccc(o1)C(C)N[C@H](C)C=O 7fd5772ea5778c4b3cc40218f2cafe66 [0,2,0,0,0,0|0,0,0]=2 1273 B13R1.10 Cc1ccc(o1)C(C)N[C@H](C)CO 67977ec048aad6252109bb85b4007068 [0,2,0,0,0,0|0,0,2]=4 1274 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(=O)C=O e06bd543eabb9913707ce26e7b4276db [0,2,0,0,0,0|0,0,1]=3 1275 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(=O)CF fd152ecf7157380e613cecab727da945 [0,2,0,0,0,0|1,0,0]=3 1276 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(=O)CO 8f8020f4d0770f8b9e5b85ef5d4903de [0,2,0,0,0,0|1,0,0]=3 1277 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(=O)CS 770ab4f3d76b222cb280ea067228b146 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(C)C=O c917ad5c4497e69f9b356f54ef8d6701 [0,2,0,0,0,0|0,0,0]=2 1279 B13R1.10 Cc1ccc(o1)[C@@H](C)NC(C)CO 6f4a00be72c73681b37e82c87a93549b [0,2,0,0,0,0|0,0,2]=4 1280 B13R1.10 Cc1ccc(o1)[C@@H](C)N[C@@H](C)CO 2d2162233307d51a533e42d54d7feda8 [0,2,0,0,0,0|0,0,2]=4 1281 B13R1.10 Cc1ccc(o1)[C@@H](C)N[C@H](C)C=O 662a1474c32fbf37803b405723ba4707 [0,2,0,0,0,0|0,0,0]=2 1282 B13R1.10 Cc1ccc(o1)[C@@H](C)N[C@H](C)CO c388651d844f175243b03f6024b6be34 [0,2,0,0,0,0|0,0,2]=4 1283 B13R1.10 Cc1ccc(s1)[C@@H](C)OC(C)C=O 29f8b39df1c8844237b528ea6e0aac99 [0,2,0,0,0,0|0,1,0]=3 1284 B13R1.10 Cc1ccc(s1)[C@@H](C)O[C@H](C)C=O 07b00a79eda6286005fd7f2fcc7a57c3 [0,2,0,0,0,0|0,1,0]=3 1285 B13R1.10 Cc1ccc(s1)[C@H](C)NC(=O)C=O bbe4e11455a885bee4de619af1746957 [0,2,0,0,0,0|0,1,1]=4 1286 B13R1.10 Cc1ccc(s1)[C@H](C)NC(=O)CF 6201930ea5460972275ff270d0f753b3 [0,2,0,0,0,0|1,1,0]=4 1287 B13R1.10 Cc1ccc(s1)[C@H](C)NC(C)C=O ea3818afb0409904b66c3cb45e1a0a0a [0,2,0,0,0,0|0,1,0]=3 1288 B13R1.10 Cc1ccc(s1)[C@H](C)N[C@H](C)C=O 95cd43421c6708a6d62e5a073fa66813 [0,2,0,0,0,0|0,1,0]=3 1289 B13R1.10 Cc1csc(n1)C(C)NC(C)C=O 6443222709575cc4207b82240a9b1e4b [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.10 Cc1csc(n1)C(C)N[C@H](C)C=O d6a4d30cd35fa5020aed365afcecc66f [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.10 Cc1csc(n1)C(C)OC(C)C=O bfa2553fa73cd7c3fb3a1223171cd659 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.10 Cc1csc(n1)C(C)O[C@H](C)C=O 9ed8f946b652bede3b1485ff33c941d7 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.10 Cc1nc(cs1)C(C)NC(C)C=O 7fe8ce74882c84d5117264a07b247c29 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.10 Cc1nc(cs1)C(C)N[C@H](C)C=O 7e02e082c0799fda819242aca68b31f9 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.10 Cc1ncc(s1)C(C)OC(C)C=O 012106f1b3c53a6de55cb27f0eac421e [0,2,0,0,0,0|1,1,0]=4 1296 B13R1.10 Cc1ncc(s1)C(C)O[C@H](C)C=O 025c03fceccc07141da453355cea0f53 [0,2,0,0,0,0|1,1,0]=4 1297 B13R1.23 C#CCCNC(C)c1ccc(o1)C 55881203b98742c8b7a042bb1907c2ca [0,2,0,0,0,0|1,0,1]=4 1298 B13R1.23 C#CCCN[C@H](C)c1ccc(o1)C 592925435337a384ccca42632a0dc578 [0,2,0,0,0,0|1,0,1]=4 1299 B13R1.23 C/C=C/CNC(C)c1ccc(o1)C 8aad57101a8b6ae0fb93c23dad6b7dda [0,2,0,0,0,0|1,0,0]=3 1300 B13R1.23 C/C=C/CN[C@@H](C)c1ccc(s1)C e4724282f1722bd0f5c7b2b4eaa6ad7a [0,2,0,0,0,0|1,1,0]=4 1301 B13R1.23 C/C=C/CN[C@H](C)c1ccc(o1)C 94cea162564a821c7d167dd2fb9c2bd0 [0,2,0,0,0,0|1,0,0]=3 1302 B13R1.23 C/C=C/CO[C@H](C)c1ccc(s1)C 4deadacc3150e4ec2a9cd2043ed5fac5 [0,2,0,0,0,0|1,1,0]=4 1303 B13R1.23 C/C=C\CNC(C)c1ccc(o1)C 25cb328719a80416fa3c20b9e2e2d6a7 [0,2,0,0,0,0|1,0,0]=3 1304 B13R1.23 C/C=C\CN[C@@H](C)c1ccc(s1)C 0cdb3e11e9e2d1a4af330fd477e9b781 [0,2,0,0,0,0|1,1,0]=4 1305 B13R1.23 C/C=C\CN[C@H](C)c1ccc(o1)C cb826ab971661d0a1a37ee992bfc917b [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.23 C/C=C\CO[C@H](C)c1ccc(s1)C 85e66b28a850ec76650b9123334832a2 [0,2,0,0,0,0|1,1,0]=4 1307 B13R1.23 C=CCCCN(C)c1ccc(o1)C db07ccdc8044f6ba11751eacc39acb9b [0,2,0,0,0,0|2,0,0]=4 1308 B13R1.23 C=CCCNC(C)c1ccc(o1)C 3d5baccea56df7f7d71207e4348b3ceb [0,2,0,0,0,0|1,0,0]=3 1309 B13R1.23 C=CCCN[C@@H](C)c1ccc(s1)C 56669a8d3afb885ddf41b3a48298cef8 [0,2,0,0,0,0|1,1,0]=4 1310 B13R1.23 C=CCCN[C@H](C)c1ccc(o1)C 1784e324f9a2cfaca7c581cbaf29b021 [0,2,0,0,0,0|1,0,0]=3 1311 B13R1.23 C=CCCO[C@H](C)c1ccc(s1)C b1c04a3988fe5f35fc7a06ba3023bacd [0,2,0,0,0,0|1,1,0]=4 1312 B13R1.23 CC(NCCC=O)c1ccc(s1)Br 888afe89a113e9fe5de9fad6f24c2cb9 [0,2,0,0,0,0|1,1,0]=4 1313 B13R1.23 CC(NCCC=O)c1ccc(s1)Cl b5fcbba87e721cfd8401c5405922ae8c [0,2,0,0,0,0|1,1,0]=4 1314 B13R1.23 CC(NCCC=O)c1ccn(n1)C ac482653958c39eed3f7f338c7387e83 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.23 CC(OCCC=O)c1ccc(s1)Cl 8bd867000620c8ce09cea0318705dc9f [0,2,0,0,0,0|1,1,0]=4 1316 B13R1.23 CC(OCCC=O)c1ccn(n1)C 05ef8636f9d7eb11bb03e41b09c741cc [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.23 CCCCNC(C)c1ccc(o1)C 0655e9a0a446c5c45464d52b6fe86601 [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.23 CCCCN[C@H](C)c1ccc(o1)C ee229fdf760dbb065ec528c2006e1a98 [0,2,0,0,0,0|1,0,1]=4 1319 B13R1.23 CCOCNC(C)c1ccc(o1)C 65f1ccdafb5c06ad086da192ca9337f1 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.23 CCOCN[C@H](C)c1ccc(o1)C 078325922da39a22e8b3b7b859c78a0d [0,2,0,0,0,0|1,0,1]=4 1321 B13R1.23 COCCNC(C)c1ccc(o1)C ea60442a13ab668d2118ae9b3cdf2367 [0,2,0,0,0,0|0,0,2]=4 1322 B13R1.23 COCCN[C@H](C)c1ccc(o1)C 8c8d9244dea5cbffdfae45d2a393c99a [0,2,0,0,0,0|0,0,2]=4 1323 B13R1.23 CSCCNC(C)c1ccc(o1)C a8710b7383249f2d6ada41bc3f86c27b [0,2,0,0,0,0|0,1,1]=4 1324 B13R1.23 CSCCN[C@H](C)c1ccc(o1)C d1afab836bcda6944fb675d4c398563f [0,2,0,0,0,0|0,1,1]=4 1325 B13R1.23 C[C@@H](NCCC=O)c1ccc(s1)Br e2678bcbe87f82f7ae23822337621234 [0,2,0,0,0,0|1,1,0]=4 1326 B13R1.23 C[C@@H](NCCC=O)c1ccc(s1)Cl 419b4256585a87d3c51ac1044168bb21 [0,2,0,0,0,0|1,1,0]=4 1327 B13R1.23 Cc1cc(cs1)C(C)OCCC=O 0ec7b0b438ffa314fe71f74aee99dbac [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.23 Cc1ccc(o1)C(C)NC/C=C/Cl fb4f932a183d9246eaabcff1e67ac94b [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.23 Cc1ccc(o1)C(C)NC/C=C\Cl 549507d9bb1be71b1682ed7dfb549972 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.23 Cc1ccc(o1)C(C)NC/C=C\O 2e9055504c679bd58b4ec99458d4f567 [0,2,0,0,0,0|0,0,1]=3 1331 B13R1.23 Cc1ccc(o1)C(C)NCCC#N 47a9028f65363485b84c0d0c8ab4a4de [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.23 Cc1ccc(o1)C(C)NCCC=O 34ae94cf050d60594a8b1b7dd33e8f1c [0,2,0,0,0,0|0,0,0]=2 1333 B13R1.23 Cc1ccc(o1)C(C)NCCCF e6b58cea7a788bd2f47ef2c9e364af6a [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.23 Cc1ccc(o1)C(C)NCCCO a1d185c2ab3288840551de3e5a711065 [0,2,0,0,0,0|0,0,2]=4 1335 B13R1.23 Cc1ccc(o1)C(C)NCCCS 49c60677e28b68c60018b59b3e912fed [0,2,0,0,0,0|0,1,1]=4 1336 B13R1.23 Cc1ccc(o1)C(C)NCSC#N 96eb4e2cc3d0b7e1386afcef25ca37d7 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.23 Cc1ccc(o1)[C@@H](C)NC/C=C/Cl ad76e9df257bca42a70b1cc4eae2e16c [0,2,0,0,0,0|1,0,0]=3 1338 B13R1.23 Cc1ccc(o1)[C@@H](C)NC/C=C\Cl a08c5b3671a9dbda5a26aa2fc4ff42aa [0,2,0,0,0,0|1,0,0]=3 1339 B13R1.23 Cc1ccc(o1)[C@@H](C)NC/C=C\O 8db2e8a2325b0b91c0b228eeaf4e1977 [0,2,0,0,0,0|0,0,1]=3 1340 B13R1.23 Cc1ccc(o1)[C@@H](C)NCCC#N 3d6f5be1ee4893b9201093591ea96abe [0,2,0,0,0,0|1,0,1]=4 1341 B13R1.23 Cc1ccc(o1)[C@@H](C)NCCC=O 97aa8be0d86b7dadd36b178978ce86f5 [0,2,0,0,0,0|0,0,0]=2 1342 B13R1.23 Cc1ccc(o1)[C@@H](C)NCCCF ff3d8189f225497c9788c272f862dec1 [0,2,0,0,0,0|1,0,1]=4 1343 B13R1.23 Cc1ccc(o1)[C@@H](C)NCCCO bb163c08e42331d5f0b1b464c9975cdd [0,2,0,0,0,0|0,0,2]=4 1344 B13R1.23 Cc1ccc(o1)[C@@H](C)NCCCS fe9f587b740f8ade52667c40675d9b36 [0,2,0,0,0,0|0,1,1]=4 1345 B13R1.23 Cc1ccc(o1)[C@@H](C)NCSC#N 02b515d9c32a608d09794039184ccc44 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.23 Cc1ccc(s1)[C@@H](C)OC/C=C/Cl 6d81e14300d7c532a8f54c81ff33682c [0,2,0,0,0,0|1,1,0]=4 1347 B13R1.23 Cc1ccc(s1)[C@@H](C)OC/C=C\Cl ac9bb4e65a8fe2a1ad5b7a7da330c100 [0,2,0,0,0,0|1,1,0]=4 1348 B13R1.23 Cc1ccc(s1)[C@@H](C)OCCC=O 30d48bfa60ba557961ccb33ceea2d5da [0,2,0,0,0,0|0,1,0]=3 1349 B13R1.23 Cc1ccc(s1)[C@H](C)NC/C=C/Cl cfa4dea2a7507f37089857eba21500c7 [0,2,0,0,0,0|1,1,0]=4 1350 B13R1.23 Cc1ccc(s1)[C@H](C)NC/C=C\Cl 04441caeadd8f6ea290b6a06aeef7a32 [0,2,0,0,0,0|1,1,0]=4 1351 B13R1.23 Cc1ccc(s1)[C@H](C)NC/C=C\O 2352cd2430767a02f151161b22c36dab [0,2,0,0,0,0|0,1,1]=4 1352 B13R1.23 Cc1ccc(s1)[C@H](C)NCCC=O 2ffcab5e8369b9c93d80de3c02d31445 [0,2,0,0,0,0|0,1,0]=3 1353 B13R1.23 Cc1ccn(n1)C(C)CNCC=O 8d85daf55a21ebffc613240950c8149c [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.23 Cc1csc(n1)C(C)CNCC=O 030c5991d74330be0993d7d80859c0ae [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.23 Cc1csc(n1)C(C)NCCC=O 4c393ec8bc0d6db3816e9fdcf8d50b9d [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.23 Cc1csc(n1)C(C)OCCC=O ddaac4b391a84046ecf8a5c5f0554948 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.23 Cc1nc(cs1)C(C)NCCC=O 80c76f3c7c5f9c60de447d79f35f034c [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.23 Cc1ncc(s1)C(C)OCCC=O c3662a1b906d5f67cffbac3e87ec04d1 [0,2,0,0,0,0|1,1,0]=4 1359 B13R1.121 CC(C)(OCC=O)c1ccc(s1)Br 7804cff3abb429fe9f1b7a231464f21c [0,2,0,0,0,0|1,1,0]=4 1360 B13R1.121 CC(C)(OCC=O)c1ccc(s1)Cl 9365f4be3dc51688acfdf45a8b927b66 [0,2,0,0,0,0|1,1,0]=4 1361 B13R1.121 Cc1cnc(s1)C(C)(C)OCC=O e32d4635c98e46b3cde3a910c439d9f6 [0,2,0,0,0,0|1,1,0]=4 1362 B13R1.121 Cc1csc(n1)C(C)(C)OCC=O 89c3e40abd407ece0c9ee7b4dc1ba95e [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.121 Cc1ncc(s1)C(C)(C)OCC=O e69a96af6d81ae7a7c68902f57ebc7df [0,2,0,0,0,0|1,1,0]=4 1364 B13R1.129 C=C(Br)CNC(C)c1ccc(o1)C 57dcc80e047c9f3f232b5d30019c8440 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.129 C=C(Br)CN[C@@H](C)c1ccc(s1)C 8d0e8d2cc55d57d57b1780570926175d [0,2,0,0,0,0|1,1,0]=4 1366 B13R1.129 C=C(Br)CN[C@H](C)c1ccc(o1)C 6112cf043a2cca5442b4ba94f433f609 [0,2,0,0,0,0|1,0,0]=3 1367 B13R1.129 C=C(Br)CO[C@H](C)c1ccc(s1)C 36ef50e90776fe5837c0a3925f42e4a9 [0,2,0,0,0,0|1,1,0]=4 1368 B13R1.129 C=C(C)CNC(C)c1ccc(o1)C 0cd4d75e355db2e77bb212c97a68c8a8 [0,2,0,0,0,0|1,0,0]=3 1369 B13R1.129 C=C(C)CN[C@@H](C)c1ccc(s1)C fa0c53416035f312504124e7c8876846 [0,2,0,0,0,0|1,1,0]=4 1370 B13R1.129 C=C(C)CN[C@H](C)c1ccc(o1)C be05029569baa39c10e4de266b8e4bbe [0,2,0,0,0,0|1,0,0]=3 1371 B13R1.129 C=C(C)CO[C@H](C)c1ccc(s1)C c61197f45c00b51496f562939cd7a187 [0,2,0,0,0,0|1,1,0]=4 1372 B13R1.129 C=C(Cl)CNC(C)c1ccc(o1)C 7b2904a55a403e10f36051a6240c1a75 [0,2,0,0,0,0|1,0,0]=3 1373 B13R1.129 C=C(Cl)CN[C@@H](C)c1ccc(s1)C b2bd29b377b22d1280a60da204c6cdf7 [0,2,0,0,0,0|1,1,0]=4 1374 B13R1.129 C=C(Cl)CN[C@H](C)c1ccc(o1)C b7a6a0063a3b19faacb2cd339347f635 [0,2,0,0,0,0|1,0,0]=3 1375 B13R1.129 C=C(Cl)CO[C@H](C)c1ccc(s1)C 569c5f883a07ee9e2201156d9a530b41 [0,2,0,0,0,0|1,1,0]=4 1376 B13R1.129 C=C(F)CNC(C)c1ccc(o1)C 1971341c72adc2b8a805750de75aa308 [0,2,0,0,0,0|1,0,0]=3 1377 B13R1.129 C=C(F)CN[C@@H](C)c1ccc(s1)C ba60ef30f5efbb35ed12ff2d3513635b [0,2,0,0,0,0|1,1,0]=4 1378 B13R1.129 C=C(F)CN[C@H](C)c1ccc(o1)C 567778a3aee87a50806c6ce5c7d041d7 [0,2,0,0,0,0|1,0,0]=3 1379 B13R1.129 C=C(F)CO[C@H](C)c1ccc(s1)C 792af7e537e620a0a679f2f322464a6d [0,2,0,0,0,0|1,1,0]=4 1380 B13R1.129 CC(=O)CNC(=O)c1ccc(o1)C 1774b9bb2f935ad71b79f902f28f953c [0,2,0,0,0,0|1,0,1]=4 1381 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C fc52ac265d6626c20d3c19a7e2091d27 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.129 CC(=O)NCC(C)n1ccc(n1)C eb52f0f67ae4414582e9cc8c0fe3e4d6 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Br 4b6b2473cb3dab0cc999cf43dac48fcf [0,2,0,0,0,0|1,1,0]=4 1384 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Cl 8641a36f94eb184db42a062d435c4cfa [0,2,0,0,0,0|1,1,0]=4 1385 B13R1.129 CC(NCC(=O)N)c1ccn(n1)C da159498b6883567b3e01318139a30b4 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.129 CC(NCC(=O)O)c1ccc(s1)Br 8badb9edc742238cbf1094ee8715e1bb [0,2,0,0,0,0|1,1,0]=4 1387 B13R1.129 CC(NCC(=O)O)c1ccc(s1)Cl 5a7e34c3e17ffe02a8b46fbf4ac5d219 [0,2,0,0,0,0|1,1,0]=4 1388 B13R1.129 CC(NCC(=O)O)c1ccn(n1)C f8e90920e758ae6fd9048881152fbd99 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.129 CC(OCC(=O)N)c1ccc(s1)Cl 1aac42a7ed32ca56371429daa90b42fe [0,2,0,0,0,0|1,1,0]=4 1390 B13R1.129 CC(OCC(=O)N)c1ccn(n1)C 2ccc4f2b8d43e5bc771989fa538353dd [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.129 CC(OCC(=O)O)c1ccc(s1)Cl 875637946e9f3ba63aeb630f6b957069 [0,2,0,0,0,0|1,1,0]=4 1392 B13R1.129 CC(OCC(=O)O)c1ccn(n1)C 8dae60dcfc987b68bb4dbb941863c2bc [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.129 C[C@@H](NCC(=O)N)c1ccc(s1)Br d57fc17fe290f605148bd9e4f31fa36d [0,2,0,0,0,0|1,1,0]=4 1394 B13R1.129 C[C@@H](NCC(=O)N)c1ccc(s1)Cl 46c7322b20df9e5d5f14eeb18f45a497 [0,2,0,0,0,0|1,1,0]=4 1395 B13R1.129 C[C@@H](NCC(=O)O)c1ccc(s1)Br b13dcfd0d57cee028ca91b4a9d433380 [0,2,0,0,0,0|1,1,0]=4 1396 B13R1.129 C[C@@H](NCC(=O)O)c1ccc(s1)Cl 34b135ca72a5dad47478f62e9c2d4fb3 [0,2,0,0,0,0|1,1,0]=4 1397 B13R1.129 C[C@@H](OCC(=O)N)c1ccc(s1)Br eee8caa3a3b35192efb9c5f032cb97b9 [0,2,0,0,0,0|1,1,0]=4 1398 B13R1.129 C[C@@H](OCC(=O)O)c1ccc(s1)Br e8f5f2e1302475bb93c4083fa9297f59 [0,2,0,0,0,0|1,1,0]=4 1399 B13R1.129 Cc1cc(cs1)C(C)OCC(=O)N 62a1a4cbf39b27000cfc07591a4cf97a [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.129 Cc1cc(cs1)C(C)OCC(=O)O 6e858d365ef7388f35194646116e19ac [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.129 Cc1ccc(o1)C(=O)NCC(=O)N 2e8c8680aa18d71d50a97c0f01266d1f [0,2,0,0,0,0|1,0,1]=4 1402 B13R1.129 Cc1ccc(o1)C(C)NCC(=O)N a38fc5e6f4a56f0c7fdf858519bcd77b [0,2,0,0,0,0|0,0,0]=2 1403 B13R1.129 Cc1ccc(o1)C(C)NCC(=O)O 46af9077386597f4b24173b75d0a46a5 [0,2,0,0,0,0|0,0,0]=2 1404 B13R1.129 Cc1ccc(o1)C(C)NCC(C)C d969f7266f29d8bacc64f380819769ab [0,2,0,0,0,0|1,0,1]=4 1405 B13R1.129 Cc1ccc(o1)C(C)NCC(C)O 02cd917916e8f8dfb57b8b9a6d6c6e6a [0,2,0,0,0,0|0,0,2]=4 1406 B13R1.129 Cc1ccc(o1)C(C)NCC(F)F 701e686eada30767672c611c78552964 [0,2,0,0,0,0|1,0,1]=4 1407 B13R1.129 Cc1ccc(o1)C(C)NCN(C)C 56184eb33e0e571a5c8c29d3acbfab2f [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.129 Cc1ccc(o1)C(C)NC[C@@H](C)O 121920fd95b9b31ecadaf76b889541d3 [0,2,0,0,0,0|0,0,2]=4 1409 B13R1.129 Cc1ccc(o1)C(C)NC[C@H](C)O ba168bf645a4e742fe11d75e3f4813f2 [0,2,0,0,0,0|0,0,2]=4 1410 B13R1.129 Cc1ccc(o1)C(C)NC[N+](=O)[O-] 9e60aa7b59bb42d9d3563e54a23abffa [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.129 Cc1ccc(o1)N(C)CCC(=O)O 5ec60e132bdbb5cc48c0436eac971a9e [0,2,0,0,0,0|1,0,0]=3 1412 B13R1.129 Cc1ccc(o1)[C@@H](C)NCC(=O)N b6ba7ab937531ece3552f275a821c389 [0,2,0,0,0,0|0,0,0]=2 1413 B13R1.129 Cc1ccc(o1)[C@@H](C)NCC(=O)O 79a10381c0e3f75bf399b37270ca9323 [0,2,0,0,0,0|0,0,0]=2 1414 B13R1.129 Cc1ccc(o1)[C@@H](C)NCC(C)C 893b99f50d3efe4dc4a7aaa371410dde [0,2,0,0,0,0|1,0,1]=4 1415 B13R1.129 Cc1ccc(o1)[C@@H](C)NCC(C)O 3f22f414a375558ef18567479bfdb155 [0,2,0,0,0,0|0,0,2]=4 1416 B13R1.129 Cc1ccc(o1)[C@@H](C)NCC(F)F 5a7441a69a0f9287aec76ed9242e73bf [0,2,0,0,0,0|1,0,1]=4 1417 B13R1.129 Cc1ccc(o1)[C@@H](C)NCN(C)C a6627b3a8c0d01e7b2f8307e6729f233 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.129 Cc1ccc(o1)[C@@H](C)NC[C@@H](C)O d07e99c9dc32376c7acd04c76ba60be5 [0,2,0,0,0,0|0,0,2]=4 1419 B13R1.129 Cc1ccc(o1)[C@@H](C)NC[C@H](C)O 173df0c8dd5b3cc4247b76dd05efc6b5 [0,2,0,0,0,0|0,0,2]=4 1420 B13R1.129 Cc1ccc(o1)[C@@H](C)NC[N+](=O)[O-] 3ada596ba3d4cbe4a41887147b391a26 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.129 Cc1ccc(s1)[C@@H](C)OCC(=O)N 57b5e0c59f027a97ea83c85e8098b4e6 [0,2,0,0,0,0|0,1,0]=3 1422 B13R1.129 Cc1ccc(s1)[C@@H](C)OCC(=O)O 9aa984a401807b0db8a01a1714231507 [0,2,0,0,0,0|0,1,0]=3 1423 B13R1.129 Cc1ccc(s1)[C@@H](C)OC[N+](=O)[O-] 16d5fb87f0eae0ebd9eb3a27dd826def [0,2,0,0,0,0|1,1,0]=4 1424 B13R1.129 Cc1ccc(s1)[C@H](C)NCC(=O)N 582eef841d453759a09ba8ce224482df [0,2,0,0,0,0|0,1,0]=3 1425 B13R1.129 Cc1ccc(s1)[C@H](C)NCC(=O)O 41201a5adba2c6d65f5653b99515a0d1 [0,2,0,0,0,0|0,1,0]=3 1426 B13R1.129 Cc1ccc(s1)[C@H](C)NC[N+](=O)[O-] 1b5da341fb1d97707fad84f7b5debfde [0,2,0,0,0,0|1,1,0]=4 1427 B13R1.129 Cc1cnc(o1)N(C)CCC(=O)O 9d5c6ccc9a31f95840f70939d2e172d6 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.129 Cc1csc(n1)C(C)NCC(=O)N cf13ee5cdc9cc15b957fe2764cf8541f [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.129 Cc1csc(n1)C(C)NCC(=O)O c6cb3c45b937f8de2b1a34fda41012bc [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.129 Cc1csc(n1)C(C)OCC(=O)N bcfe0836e0e193aa6da1e1d0a874c705 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.129 Cc1csc(n1)C(C)OCC(=O)O e0c8c9cb686ee40ff99118e386e99da0 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.129 Cc1nc(cs1)C(C)NCC(=O)N c81cf3fe6a93427b7b55c0c765e52cc4 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.129 Cc1nc(cs1)C(C)NCC(=O)O 695aecdf63957f3f246ad181816e9c83 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.129 Cc1ncc(s1)C(C)OCC(=O)N c51744e24d3776620c428218fd2864f2 [0,2,0,0,0,0|1,1,0]=4 1435 B13R1.129 Cc1ncc(s1)C(C)OCC(=O)O 22ab71d2725982eff464a71c5ae3c228 [0,2,0,0,0,0|1,1,0]=4 1436 B13R1.679 C=CCCN(C)c1ccc(o1)CC 8e575009090e623b69ac252495370dc7 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.679 C=CCCN(C)c1ccc(o1)CO 753cb17e86d855d47c5bd0072db50950 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.679 CCc1nc(cs1)C(C)NCC=O 58b9b4a209c5ee64313adb7c56cec0f7 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.679 CCn1ccc(n1)C(C)NCC=O 1863b784583b11508d5c0f1e7aa616fb [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.679 CSc1ncc(s1)C(C)OCC=O 37f570f78d5da23f7930bb4e12e21277 [0,2,0,0,0,0|1,1,0]=4 1441 B13R1.680 CC(OCC=O)c1nn(cc1Br)C f06bcf5034419e15bcf780fa5fa9bb36 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.680 Cc1cc(n(n1)C(C)CNC=O)C 28cbbdc3c9135485f3572f668807e9ea [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.681 CC(OCC=O)c1cc(c(s1)Cl)Cl 5873aa6c2a9686ec3d64abfc06784a85 [0,2,0,0,0,0|1,1,0]=4 1444 B13R1.681 Cc1nc(sc1C)C(C)OCC=O 2de44651325f76b2db294218c116e6e5 [0,2,0,0,0,0|1,1,0]=4 1445 B13R1.130 Cc1ccc(o1)N(C)C(C)C(=O)N b2ac859199fa8d62d32032dedad036d3 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.130 Cc1ccc(o1)N(C)C(C)C(=S)N 7c90a40a2f711846d1b54a33218af285 [0,2,0,0,0,0|1,1,0]=4 1447 B13R1.130 Cc1ccc(o1)N(C)[C@@H](C)C(=O)N 7bc8ec38ca440886ed41412bca4cf2b4 [0,2,0,0,0,0|1,0,0]=3 1448 B13R1.130 Cc1ccc(s1)N(C)C(C)C(=O)N ff79165c0daf3457518709c29c223d0f [0,2,0,0,0,0|1,1,0]=4 1449 B13R1.130 Cc1ccc(s1)N(C)[C@@H](C)C(=O)N f0116627750e6c9957dd3e217945096f [0,2,0,0,0,0|1,1,0]=4 1450 B13R1.130 Cc1cnc(o1)N(C)C(C)C(=O)N 92f118f66c92fca6b3b028c3a217d05a [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.130 Cc1cnc(o1)N(C)[C@@H](C)C(=O)N a0e7f6da949cd9a5f069d07ccd91ad10 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.58 CCc1ccc(o1)N(C)CC(=O)N 752c6894c72b2a8a2cebe04a346f7849 [0,2,0,0,0,0|1,0,0]=3 1453 B13R1.58 CCc1ccc(s1)N(C)CC(=O)N 95796775db16d0eab822b80813e4174d [0,2,0,0,0,0|1,1,0]=4 1454 B13R1.58 CN(CC(=O)N)c1ccc(o1)C#N d0bfef49e3140a0a80a436e6f1f3ce28 [0,2,0,0,0,0|1,0,1]=4 1455 B13R1.58 CN(CC(=O)N)c1ccc(o1)C=O c0de98942cdb506b6303c2c6260ecfb5 [0,2,0,0,0,0|1,0,1]=4 1456 B13R1.58 CN(CC(=O)N)c1ccc(o1)CO a51c9c95b61cc94ddf286f71892b3863 [0,2,0,0,0,0|1,0,0]=3 1457 B13R1.58 CN(CC(=O)N)c1ccc(s1)CO 59847e78543403d40cd64ac3f173aa81 [0,2,0,0,0,0|1,1,0]=4 1458 B13R1.58 CN(CC(=O)N)c1cnc(o1)CO c13cc3b5b9da7e352ec35eb97d3865f2 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.3448 Cc1nc(oc1C)N(C)CC(=O)N e8e588f33c762c9ce9e325cb96a39694 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.3465 Cc1nc(c(o1)N(C)CC(=O)N)C 848e4e2ae2c5137c6ca3475c90409269 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.451 C=CCN(C)c1ccc(o1)C(=O)C 413bb0a614e3e3a44a6cf9ebc0486a35 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.451 C=CCN(C)c1ccc(o1)C(F)F 6d2dbdb6415ff21940b252ad27210a03 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.224 C=CC(C)OCC1CC(=O)C1 214aa437bc9563f5d24988dad2f89f63 [0,0,1,1,0,0|0,0,2]=4 1464 B11R1.224 C=C[C@H](C)OCC1CC(=O)C1 316bcb3d7baf7856898b6621449b0234 [0,0,1,1,0,0|0,0,2]=4 1465 B13R2.51 CO[C@H]1C[C@H]1Nc2ccc(o2)C 91f0b4dbb6f89a349636ab984f6bd943 [0,0,0,1,0,1|2,0,0]=4 1466 B13R2.51 Cc1ccc(o1)N[C@@H]2C[C@H]2CO 7de4ac41b0cf19616afd4692c0de8a39 [0,0,0,1,0,1|0,0,2]=4 1467 B13R2.51 Cc1ccc(o1)N[C@H]2C[C@@H]2CO fa1944415da2c1e0287809501f9b7afc [0,0,0,1,0,1|0,0,2]=4 1468 B13R2.51 Cc1ccc(o1)N[C@H]2C[C@H]2CO 0d0bab2a89f82b66ba771e757aca4acf [0,0,0,1,0,1|0,0,2]=4 1469 B13R2.51 Cc1ccc(s1)NC2CC2C=O 83ea75dba3ee4b4699ee293ff124ddd9 [0,0,0,1,0,1|0,1,0]=3 1470 B13R2.51 Cc1cnc([nH]1)NC2CC2C=O fe6dae3e7d38f495d773d3b7246688b2 [0,0,0,1,0,1|2,0,0]=4 1471 B13R2.51 Cc1cnc(o1)NC2CC2C=O d3ac1f55b4a5730eeb07764801a5760e [0,0,0,1,0,1|1,0,0]=3 1472 B13R2.51 Cc1cnc(s1)NC2CC2C=O 49ee1e974074987900eb8b0a906b195a [0,0,0,1,0,1|1,1,0]=4 1473 B13R2.51 Cc1coc(n1)NC2CC2C=O 21d50248c2b91b7c765307ec9478aa64 [0,0,0,1,0,1|2,0,0]=4 1474 B13R2.51 Cc1csc(c1)OC2CC2C=O 8447d0dfabefae8be4ec403e362d0326 [0,0,0,1,0,1|2,0,0]=4 1475 B13R2.51 Cc1csc(n1)NC2CC2C=O 09140ea31f7cab4df309eada3f828f23 [0,0,0,1,0,1|2,0,0]=4 1476 B13R2.51 Cc1ncc(o1)NC2CC2C=O df32a9e0017107f8bdb583f385af79b0 [0,0,0,1,0,1|1,0,0]=3 1477 B13R2.51 Cc1ncc(s1)NC2CC2C=O 9899fc735c55ca6e596ac25f4fdb25a3 [0,0,0,1,0,1|1,1,0]=4 1478 B13R2.51 Cc1nnc(o1)NC2CC2C=O a8ab8c7296add98321955370daf7c9df [0,0,0,1,0,1|2,0,0]=4 1479 B13R2.51 Cn1ccc(n1)NC2CC2C=O 59f280f30e7297d3956c75fd8b53f714 [0,0,0,1,0,1|2,0,0]=4 1480 B13R2.51 Cn1ccc(n1)OC2CC2C=O db55f6e7aeab37503f258964e176f5a2 [0,0,0,1,0,1|2,0,0]=4 1481 B13R2.51 O=CC1CC1Nc2ccc(s2)Br 87ebaed9431725e85cee13054b52b6b9 [0,0,0,1,0,1|1,1,0]=4 1482 B13R2.51 O=CC1CC1OC2C=CC(=O)O2 d964d46acee783459a67ca0897a96201 [0,0,0,1,0,1|1,0,1]=4 1483 B13R2.51 O=CC1CC1Oc2ccc(s2)Br 6f0e102fcbd6b95cb97ec505a0c0ebe0 [0,0,0,1,0,1|1,1,0]=4 1484 B13R2.142 Cc1ccc(o1)NC2CC=CC2 97b3aded99c9e215f9ff39e5671d8d3b [0,0,0,1,0,1|1,0,0]=3 1485 B13R2.142 Cc1ccc(o1)NC2CCOC2 62870052bfda98ce3851c7278fdb6da5 [0,0,0,1,0,1|0,0,2]=4 1486 B13R2.142 Cc1ccc(o1)NC2CCSC2 47e3d96dec47dc4f8f266add8bd6a146 [0,0,0,1,0,1|0,1,1]=4 1487 B13R2.142 Cc1ccc(o1)N[C@@H]2CCOC2 485a832675609e29310e1ded1bb6f117 [0,0,0,1,0,1|0,0,2]=4 1488 B13R2.142 Cc1ccc(o1)N[C@H]2CCOC2 f5a96a3a8100650ff52c0189b82db019 [0,0,0,1,0,1|0,0,2]=4 1489 B13R2.142 Cc1cnc(o1)NC2CC=CC2 d780b640abd56de69e2f688d27d5afb3 [0,0,0,1,0,1|2,0,0]=4 1490 B13R2.2965 Cc1ccc(o1)NC2CC(C2)F 8455947ef226cb8a461265ad9741e314 [0,0,0,1,0,1|1,0,1]=4 1491 B13R2.2965 Cc1ccc(o1)NC2CC(C2)O be8d27226599f36148de6d41cd63534c [0,0,0,1,0,1|0,0,2]=4 1492 B13R2.2965 Cc1ccc(o1)NC2CN(C2)C 7ce9c4846d1b9809cfaf8d169b4863d3 [0,0,0,1,0,1|2,0,0]=4 1493 B13R2.2965 Cc1ccc(o1)N[C@H]2C[C@@H](C2)F 0a565dae8dbdf95d92f225a817c68cca [0,0,0,1,0,1|1,0,1]=4 1494 B13R2.2965 Cc1ccc(o1)N[C@H]2C[C@@H](C2)O a76b019030f0d78f917ed9ee5ff3c88f [0,0,0,1,0,1|0,0,2]=4 1495 B13R2.2965 Cc1ccc(o1)N[C@H]2C[C@H](C2)F 881b2d5a58ea3ae4c55cf3efac1d9334 [0,0,0,1,0,1|1,0,1]=4 1496 B13R2.2965 Cc1ccc(o1)N[C@H]2C[C@H](C2)O 6677bf2b8f63ec869069dfc0d7483dc0 [0,0,0,1,0,1|0,0,2]=4 1497 B13R2.2965 Cc1cnc([nH]1)NC2CC(=O)C2 ffb86bb609ff49dae9e0cad09ac281bc [0,0,0,1,0,1|2,0,0]=4 1498 B13R2.2965 Cc1coc(n1)NC2CC(=O)C2 0abf86a8fc075b5d2790257ed95f86a8 [0,0,0,1,0,1|2,0,0]=4 1499 B13R2.2965 Cc1ncc(s1)NC2CC(=O)C2 3f0d8fd7fa0e3a2bc548e787be497700 [0,0,0,1,0,1|1,1,0]=4 1500 B13R2.2965 Cn1ccc(n1)NC2CC(=O)C2 ae31caae8a916770a4c5d6133f27b664 [0,0,0,1,0,1|2,0,0]=4 1501 B13R2.2965 Cn1ccc(n1)OC2CC(=O)C2 6f82a8977bb3be56d0b63715f3504fc4 [0,0,0,1,0,1|2,0,0]=4 1502 B13R2.2972 Cc1ccc(o1)N[C@@H](C)C2CC2 23027d322a74f93f49589305c3657cfd [0,0,0,1,0,1|1,0,1]=4 1503 B13R2.2972 Cc1ccc(o1)N[C@H](C)C2CC2 c7f04b7c8e4b6e18911e2775db3f0583 [0,0,0,1,0,1|1,0,1]=4 1504 B13R2.2981 Cc1ccc(o1)NC2(CCC2)C a48525218cab50dca7432296e154f487 [0,0,0,1,0,1|1,0,1]=4 1505 B13R2.2981 Cc1ccc(o1)NC2(CSC2)C ee0075a94d8643015b9241f80a363771 [0,0,0,1,0,1|2,0,0]=4 1506 B13R2.4515 Cc1nc2c(o1)CN(C2)CC=O d9a253ef341fed50cc90bbe2c37d4882 [0,0,0,1,0,1|2,0,0]=4 1507 B13R2.2975 Cc1ccc(o1)C(C)NC2CC2 46180562a9d5115d3a0739f70574a182 [0,1,0,1,0,0|1,0,1]=4 1508 B13R2.2975 Cc1ccc(o1)[C@@H](C)NC2CC2 e7c9c2692d07acbf6828dd20fd68c051 [0,1,0,1,0,0|1,0,1]=4 1509 B9R0.34 C=CCC(C)OC(C)C=C b2eee11c8b0ac5dcab8b0e38d63aab1c [0,0,1,0,1,0|1,0,1]=4 1510 B9R0.34 C=CC[C@@H](C)OC(C)C=C 887bd5542e70092f0963a15ea9f5595e [0,0,1,0,1,0|1,0,1]=4 1511 B9R0.34 C=CC[C@H](C)OC(C)C=C b6a57d674dabfa9c721e8c6465933406 [0,0,1,0,1,0|1,0,1]=4 1512 B11R1.30 C=CCN(C)Cc1ccco1 e867b637241bf85a47590d481f6a8281 [1,0,0,0,0,1|2,0,0]=4 1513 B11R1.30 CC(CC#N)Oc1ccco1 eca77dd78d6d0d9d6ac811518815b1c3 [1,0,0,0,0,1|1,0,1]=4 1514 B11R1.30 CC(Cc1ccco1)NC=O bf69bf05946b0a12a5fc0dc718f62f91 [1,0,0,0,0,1|1,0,0]=3 1515 B11R1.30 CCCC(C)Oc1ccco1 715c6a459f942b82fe295bae77d57485 [1,0,0,0,0,1|1,0,1]=4 1516 B11R1.30 CN(CC=O)Cc1ccc[nH]1 649bb557ce3d6313429b76fa273042b5 [1,0,0,0,0,1|2,0,0]=4 1517 B11R1.30 CN(CC=O)Cc1ccco1 d50f50c9a4477c3a85aa4a47080e9071 [1,0,0,0,0,1|1,0,0]=3 1518 B11R1.30 CN(CC=O)Cc1cccs1 dd33ffe7426d0ebd5b988f0a4350cdd9 [1,0,0,0,0,1|1,1,0]=4 1519 B11R1.30 CN(CC=O)Cc1ccno1 e9cb90a5e105c7af2b4a8873502e6eab [1,0,0,0,0,1|2,0,0]=4 1520 B11R1.30 CN(CC=O)Cc1ncco1 d3ceb40ee9ce0e3d9ebafbff80ad7b91 [1,0,0,0,0,1|2,0,0]=4 1521 B11R1.30 COCC(C)Oc1ccco1 8c16ff75bc7d6180985e9463a9cff0e5 [1,0,0,0,0,1|2,0,0]=4 1522 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [1,0,0,0,0,1|2,0,0]=4 1523 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [1,0,0,0,0,1|2,0,0]=4 1524 B11R1.22 Cc1ccc(nc1)N(C)C=O e97e84386efd05e00da987d65e1de257 [1,0,0,0,0,1|2,0,0]=4 1525 B11R1.1 Cc1ccc(cc1)CNC=O f28e952319097b22b95735c4699de02f [1,0,0,0,0,1|2,0,0]=4 1526 B11R1.1 Cc1ccc(cc1)NCC=O 4fda9751a355cee6e87b68007294a6d1 [1,0,0,0,0,1|2,0,0]=4 1527 B11R1.1 Cc1ccc(cc1)OCC=O 162ce958ced72925305b1c018b7b9598 [1,0,0,0,0,1|2,0,0]=4 1528 B11R1.1 Cc1ccc(cn1)CNC=O 0656b402618b49c90168e7242c0fcbdc [1,0,0,0,0,1|2,0,0]=4 1529 B11R1.1 Cc1ccc(cn1)NCC=O 7439e10ed55dd1e528cab84804f12e75 [1,0,0,0,0,1|2,0,0]=4 1530 B11R1.1 Cc1ccc(cn1)OCC=O 2a39bf4a58c0d8aceda49eebdc8172fd [1,0,0,0,0,1|2,0,0]=4 1531 B11R1.1 Cc1ccc(nc1)CNC=O 7aedc132fef308dfc15f94cda828d0c7 [1,0,0,0,0,1|2,0,0]=4 1532 B11R1.1 Cc1ccc(nc1)NCC=O 23170e75e9c1547827bd3e77cba1986b [1,0,0,0,0,1|2,0,0]=4 1533 B11R1.1 Cc1ccc(nc1)OCC=O eaef19022409ea2a4bfc2c9e7ad6f59e [1,0,0,0,0,1|2,0,0]=4 1534 B11R1.1 Cc1ccc(nn1)CNC=O 51cb87f911f65054fadd68fdae26022f [1,0,0,0,0,1|2,0,0]=4 1535 B11R1.1 Cc1ccc(nn1)NCC=O 0df88d67606bd9ba319da023ef0ea447 [1,0,0,0,0,1|2,0,0]=4 1536 B11R1.1 Cc1ccc(nn1)OCC=O c596715c52cfc43c8025f46d3ca8107c [1,0,0,0,0,1|2,0,0]=4 1537 B11R1.24 Cc1cc(ccn1)CNC=O 78ec20f8df4ea0219967821c0590bd01 [1,0,0,0,0,1|2,0,0]=4 1538 B11R1.24 Cc1cc(ccn1)NCC=O 79fac8dba0aa6432385905b1f08fd35b [1,0,0,0,0,1|2,0,0]=4 1539 B11R1.24 Cc1cc(ccn1)OCC=O e37e6805e5d636ccef3ada656d10c1c5 [1,0,0,0,0,1|2,0,0]=4 1540 B11R1.24 Cc1cccc(c1)CNC=O f999de901cc8b568a96ef98318b0e85f [1,0,0,0,0,1|2,0,0]=4 1541 B11R1.24 Cc1cccc(c1)NCC=O 02b27afd26a0d485177136f96a1c2349 [1,0,0,0,0,1|2,0,0]=4 1542 B11R1.24 Cc1cccc(c1)OCC=O d45d2710eb10d050ca7ae3507eaed4d8 [1,0,0,0,0,1|2,0,0]=4 1543 B11R1.24 Cc1cccc(n1)CNC=O c7149020ca8107f06f52bee9bc3ebdfc [1,0,0,0,0,1|2,0,0]=4 1544 B11R1.24 Cc1cccc(n1)NCC=O 68f7a72ec0e9e3adea5ecef6e4b261a3 [1,0,0,0,0,1|2,0,0]=4 1545 B11R1.24 Cc1cccc(n1)OCC=O 777d2d6cab1e0b751a60b71547346878 [1,0,0,0,0,1|2,0,0]=4 1546 B11R1.24 Cc1ccnc(c1)CNC=O 7fe0ffaa80f5755e2d952540b3a63747 [1,0,0,0,0,1|2,0,0]=4 1547 B11R1.24 Cc1ccnc(c1)NCC=O 7fe7d9bebaab7c6a5369332f7b4c251d [1,0,0,0,0,1|2,0,0]=4 1548 B11R1.24 Cc1ccnc(c1)OCC=O c324508bc4ed3e2af4e55b7e1936d2b2 [1,0,0,0,0,1|2,0,0]=4 1549 B11R1.24 Cc1ccnc(n1)CNC=O 2c677199dff02a0bcdbbfc88af9d1713 [1,0,0,0,0,1|2,0,0]=4 1550 B11R1.24 Cc1ccnc(n1)NCC=O bad7330c5765c2ded9c59e5a5be5c17c [1,0,0,0,0,1|2,0,0]=4 1551 B11R1.24 Cc1cncc(c1)CNC=O 01c7924a9aae47809400bf2620b09afe [1,0,0,0,0,1|2,0,0]=4 1552 B11R1.24 Cc1cncc(c1)NCC=O 298a1cf3340919aa4fb7517725be5c11 [1,0,0,0,0,1|2,0,0]=4 1553 B11R1.24 Cc1cncc(c1)OCC=O b22d9ef1a34472626261898277aa1fbe [1,0,0,0,0,1|2,0,0]=4 1554 B11R1.24 Cc1cncc(n1)NCC=O 1f5e2ade4846b898a4726f7fa36df1c1 [1,0,0,0,0,1|2,0,0]=4 1555 B11R1.24 Cc1cncc(n1)OCC=O 2f6387d347f41297bbbe3bc5aef5a80c [1,0,0,0,0,1|2,0,0]=4 1556 B11R1.24 Cc1nccc(n1)CNC=O 06cdccc57890d25fdfce672836435032 [1,0,0,0,0,1|2,0,0]=4 1557 B11R1.24 Cc1nccc(n1)NCC=O 135b51ae4e27cbccbf0f26edfaecd5c6 [1,0,0,0,0,1|2,0,0]=4 1558 B11R1.24 Cc1nccc(n1)OCC=O be674437aa89937770359bec7decd1f9 [1,0,0,0,0,1|2,0,0]=4 1559 B13R1.19 Cc1ccc(cc1)CN(C)CC=O af015390e7fab9657dd7869d8b47a591 [0,0,0,0,0,2|2,0,0]=4 1560 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 1fae63fe5222b3c3ef9f689a824c582a [0,0,0,0,0,2|2,0,0]=4 1561 B13R1.19 Cc1ccc(nc1)CN(C)CC=O bb70c71bd2215cb7823b19309a5ed4fc [0,0,0,0,0,2|2,0,0]=4 1562 B13R1.20 Cc1cc(ccn1)CN(C)CC=O 68e915fabbb512bb656e634117865fbe [0,0,0,0,0,2|2,0,0]=4 1563 B13R1.20 Cc1cccc(c1)CN(C)CC=O 3559dd552c59d72bbdb06c902e61aa7b [0,0,0,0,0,2|2,0,0]=4 1564 B13R1.20 Cc1cccc(n1)CN(C)CC=O 513f15e7374683ba1186f5228ff227f9 [0,0,0,0,0,2|2,0,0]=4 1565 B13R1.20 Cc1ccnc(c1)CN(C)CC=O fbf57416209a00f3476837016c195f26 [0,0,0,0,0,2|2,0,0]=4 1566 B13R1.20 Cc1ccnc(n1)CN(C)CC=O 0a0f274b18705d0157d5c07f9f5cf277 [0,0,0,0,0,2|2,0,0]=4 1567 B13R1.41 C=CCC(C)CNc1ccc(s1)C 548fb6c990df4c66d810c598564ad8be [0,0,0,0,0,2|1,1,0]=4 1568 B13R1.41 C=CCC(C)CNc1cnc(o1)C 20075c141491ca935f8f626da653ef8d [0,0,0,0,0,2|2,0,0]=4 1569 B13R1.41 C=CCC(C)CNc1ncc(o1)C 04eea3baec013cee4dba854213fb98a4 [0,0,0,0,0,2|2,0,0]=4 1570 B13R1.41 C=CCC(C)OCc1cnc(o1)C 9226bfaf86b9493fe766e42906077c4f [0,0,0,0,0,2|2,0,0]=4 1571 B13R1.41 C=CCC(C)OCc1ncc(o1)C 103d832adbfefd1e7bb393e8b2a08241 [0,0,0,0,0,2|2,0,0]=4 1572 B13R1.41 C=CCC(O)CNc1ccc(o1)C d94bd3fbe14093187d3fb9f18bdfa01a [0,0,0,0,0,2|2,0,0]=4 1573 B13R1.41 C=CC[C@@H](C)OCc1cnc(o1)C 1e68ef5eacc96e13c7e571c7b93fa1b2 [0,0,0,0,0,2|2,0,0]=4 1574 B13R1.41 C=CC[C@@H](C)OCc1ncc(o1)C 8dc58bbe63adfd6e62a1b023429d9cbb [0,0,0,0,0,2|2,0,0]=4 1575 B13R1.41 C=CC[C@H](C)OCc1cnc(o1)C 4eb2fde39180f4ff591419ffa5085553 [0,0,0,0,0,2|2,0,0]=4 1576 B13R1.41 C=CC[C@H](C)OCc1ncc(o1)C 1df180e0618816c0a2ae9b8a4cb772e4 [0,0,0,0,0,2|2,0,0]=4 1577 B13R1.41 CCCC(C)NCc1ccc(o1)C 0069b9ea3a5a9115b4d5166f6d215dae [0,0,0,0,0,2|1,0,1]=4 1578 B13R1.41 CCCC(C)OCc1ccc(o1)C 7392c03d4de020d69562aec13c44d794 [0,0,0,0,0,2|1,0,1]=4 1579 B13R1.41 COCC(C)NCc1ccc(o1)C 298676cb995e492071b97fb95a87aeac [0,0,0,0,0,2|2,0,0]=4 1580 B13R1.41 COCC(C)OCc1ccc(o1)C e3a0996db5b1d3d0bc169af80cdf8a30 [0,0,0,0,0,2|2,0,0]=4 1581 B13R1.41 Cc1ccc(o1)CNC(=O)CC=O acea0db6018c9e4b8c16034b95095b09 [0,0,0,0,0,2|1,0,1]=4 1582 B13R1.41 Cc1ccc(o1)CNC(C)CC#N e70fb75fa705d018b02ba3da092b5fce [0,0,0,0,0,2|1,0,1]=4 1583 B13R1.41 Cc1ccc(o1)CNC(C)CCO 81738a9e6fc9b175ce86ff8d3365a853 [0,0,0,0,0,2|0,0,2]=4 1584 B13R1.41 Cc1ccc(o1)COC(C)CC#N 77bb8ef4d20fec0d1c623fb8f864e0e5 [0,0,0,0,0,2|1,0,1]=4 1585 B13R1.41 Cc1ccc(o1)NCC(C)CCO c980c6046e14a5670dc2d30f05adee39 [0,0,0,0,0,2|0,0,2]=4