0 B11R1.35 CC(=O)C(C)Nc1cncs1 1f8c8c648dd2e9c873a200a16ff857bb [0,0,0,0,0,0|4,0,0]=4 1 B11R1.35 CC(=O)N(C)Cc1cncs1 6583c908276bf2b2de03b941c6c544c5 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.35 CC(Nc1ccns1)C(=O)O 22be539b9270d9c7c5c8d5d87e68fb05 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.35 CC(Oc1c[nH]cn1)C(=O)O dbb2c01a0ba87e181d7242792aa42b10 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.35 CC(On1ccnc1)C(=O)O e91e3c0165cc5a5a8b4f9f73db4c0804 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.35 C[C@@H](Nc1ccns1)C(=O)O 869c77e83242ce13a999be88bb8659f2 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.35 C[C@@H](Oc1c[nH]cn1)C(=O)O ba9315c77565d829b4a0aae3ec5ef969 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.35 C[C@@H](On1ccnc1)C(=O)O d58c2349522b10bc80a0fdfe11d8760c [0,0,0,0,0,0|4,0,0]=4 8 B11R1.35 C[C@H](Nc1ccns1)C(=O)O 57f91f7346f038f9142955b3a2214f6c [0,0,0,0,0,0|4,0,0]=4 9 B11R1.35 C[C@H](Oc1c[nH]cn1)C(=O)O effd76e4bdd4ea74bca4131092d0baec [0,0,0,0,0,0|2,0,2]=4 10 B11R1.35 C[C@H](On1ccnc1)C(=O)O 24f5027c06f15cff8ba8fe1d9f38410f [0,0,0,0,0,0|4,0,0]=4 11 B11R1.35 NC(=O)C(F)Nc1cncs1 444f6aa4639678c97845289f142b1273 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.35 O=C(O)C(F)Nc1ccno1 cbe10dbf88d93cd9b28281d6f579e72b [0,0,0,0,0,0|4,0,0]=4 13 B11R1.35 O=C(O)C(F)Nc1ccns1 650c8a7c6e70fe63f441b1a3c25f473a [0,0,0,0,0,0|4,0,0]=4 14 B11R1.35 O=C(O)C(F)Nc1cn[nH]c1 d1c526fe5168e67c5ff3fd2df37fc612 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.35 O=C(O)C(F)Nc1cnoc1 5e2207c22ce19c2570746685cf439266 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.35 O=C(O)C(F)Nc1cnon1 053e01b4d9d84e110456eaf753ca2540 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.35 O=C(O)C(F)Oc1c[nH]cn1 61fbd857b8e69f534c7fee0b9a5d05da [0,0,0,0,0,0|2,0,2]=4 18 B11R1.35 O=C(O)C(F)Oc1cn[nH]c1 8b32f63e2259b8d1e96c045bf8f9b699 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.35 O=C(O)C(F)On1ccnc1 edac47f11dba32373ff1efae218130df [0,0,0,0,0,0|4,0,0]=4 20 B11R1.35 O=C(O)[C@H](F)Nc1ccno1 557d7417a71e80d0babb194b2167b0db [0,0,0,0,0,0|4,0,0]=4 21 B11R1.35 O=C(O)[C@H](F)Nc1ccns1 0f37634041d92627d011c0480d71526c [0,0,0,0,0,0|4,0,0]=4 22 B11R1.35 O=C(O)[C@H](F)Nc1cn[nH]c1 4818e44a29e6e4adf6b706b1d537a5aa [0,0,0,0,0,0|4,0,0]=4 23 B11R1.35 O=C(O)[C@H](F)Nc1cnoc1 d1f54883b577dc0049e89a036b92c411 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.35 O=C(O)[C@H](F)Nc1cnon1 51930bc32d9437c2b876a3ef6dc4551c [0,0,0,0,0,0|3,0,1]=4 25 B11R1.35 O=C(O)[C@H](F)Oc1c[nH]cn1 eab0b815f3385c3e77b7487f9ba7205c [0,0,0,0,0,0|2,0,2]=4 26 B11R1.35 O=C(O)[C@H](F)On1ccnc1 7deae5ba4dff454f6519d99d03777341 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.27 CC(C=O)Nc1cncs1 d72362cd85fb46651a3b050ecea7456a [1,0,0,0,0,0|3,0,0]=4 28 B10R1.27 CN(C=O)Cc1cncs1 fced62b420f1b3ac53fd177cd19d96ba [1,0,0,0,0,0|3,0,0]=4 29 B10R1.27 C[C@H](C=O)Nc1cncs1 365528492ef4d5cffaad9eff438f7bc9 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.66 CC(=O)CNc1cncs1 08e34da9bd442eefd33450d52d14bc76 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [1,0,0,0,0,0|3,0,0]=4 32 B10R1.66 CC(=O)NCc1cncs1 ec5ecc8d905108c74de005c1c70641d3 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.66 NC(=O)CNc1cncs1 4ea136fe65de731c5a6ed75fce9fde24 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.66 O=C(O)CNc1ccno1 375180111439d2c3a881638818b3cb4d [1,0,0,0,0,0|3,0,0]=4 36 B10R1.66 O=C(O)CNc1ccns1 dac4fdf38bec8833fc07971060e129f7 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.66 O=C(O)CNc1ccsc1 c844ee29c143c2527480ec93d2f5fc5f [1,0,0,0,0,0|3,0,0]=4 38 B10R1.66 O=C(O)CNc1cn[nH]c1 688c6e19a1333a0f4fb0e26e51543d95 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.66 O=C(O)CNc1cncs1 a857a27f873c3d80f04b7345ceefb23b [1,0,0,0,0,0|2,0,0]=3 40 B10R1.66 O=C(O)CNc1cnns1 ebfe1c777491f416e1a7d79381f02575 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.66 O=C(O)CNc1cnoc1 c8622be078091e0977d9ce9dd53d4609 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.66 O=C(O)CNc1cnon1 62e811ef446f658f0cf6deed4ede28f1 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.66 O=C(O)CNc1cnsc1 55a2c7fd1ec5becc8fcb8e946a372e7a [1,0,0,0,0,0|3,0,0]=4 44 B10R1.66 O=C(O)CNc1cocn1 a8c539d2b48144c59d381afebd90d7fe [1,0,0,0,0,0|2,0,1]=4 45 B10R1.66 O=C(O)CNc1cscn1 6412361c6df5c58a950b702f8eef61ac [1,0,0,0,0,0|2,0,1]=4 46 B10R1.66 O=C(O)CNc1ncc[nH]1 ede0a8770fcc3d335ca44ac1a91b218c [1,0,0,0,0,0|3,0,0]=4 47 B10R1.66 O=C(O)CNc1ncns1 881b5d3c5da979e461967a2502e221c6 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.66 O=C(O)CNc1nnco1 11a000b0cb01904b3e00ef5807bb14fa [1,0,0,0,0,0|3,0,0]=4 49 B10R1.66 O=C(O)CNc1nncs1 41178908f48871d665b0d40dce230bbe [1,0,0,0,0,0|3,0,0]=4 50 B10R1.66 O=C(O)COc1c[nH]cn1 ef84dd58bacee98312668113ab73c4d1 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [1,0,0,0,0,0|3,0,0]=4 52 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [1,0,0,0,0,0|3,0,0]=4 53 B10R1.66 O=C(O)COc1ccn[nH]1 a90818a9bc4e7c43ef2c4a1e00326fa7 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.66 O=C(O)COc1ccsc1 aa5433da28ee2912bef48e37dea2acb0 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.66 O=C(O)COc1cn[nH]c1 1628b60d284193acfc0bd5c49c185fad [1,0,0,0,0,0|3,0,0]=4 56 B10R1.66 O=C(O)COc1cnoc1 752626578db0ad01be74a4aa160152e2 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.66 O=C(O)COc1cnsn1 49a66a4f8bc0a34c9276e20bcff0f3f0 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.66 O=C(O)COc1nncs1 df27f503f1c95204883ec398900ca1bd [1,0,0,0,0,0|3,0,0]=4 59 B10R1.66 O=C(O)COn1ccnc1 18d76e909c8852398a2e6434e10a688c [1,0,0,0,0,0|3,0,0]=4 60 B12R1.104 Cc1ncc(o1)NC(F)C(=O)O 96abfcd5b367fe6958248902ef58fbe2 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.104 Cc1ncc(o1)N[C@@H](F)C(=O)O 38373dd9dcb5f6c79b363a10639acc4e [0,1,0,0,0,0|3,0,0]=4 62 B12R1.104 Cc1ncc(s1)NC(F)C(=O)O f19d018c6abc8c52e2933b85424fdf22 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.104 Cc1ncc(s1)N[C@@H](F)C(=O)O a6b0247f05db30d1f843f3b893b84f17 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.104 O=C(O)C(F)Nc1cnc(s1)Br bfaf993b4ba17e31d1e3e80a7be20732 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.104 O=C(O)[C@H](F)Nc1cnc(s1)Br 6a133f8cd2020f0d0c2cac67e8f0aa55 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.108 CN(Cc1cncs1)C(=O)CO b64f4e2f93f241dad025ce300720254b [0,1,0,0,0,0|3,0,0]=4 67 B12R1.108 COC(=O)C(C)Nc1cncs1 318cfbbb69d14ab5fb1934d7f6525192 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.108 COC(=O)[C@@H](C)Nc1cncs1 784fcc6be7bf2de73668ea31b139fb59 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.108 COC(=O)[C@H](C)Nc1cncs1 58400e926fb9eed600639ae87f5d3cc9 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.145 CC(=O)C(C)Nc1cncn1C acb19a4918618d9adc687dd0b271361e [0,1,0,0,0,0|3,0,0]=4 71 B12R1.145 CC(=O)N(C)Cc1cncn1C 2d219946196afacdeb47b4b2c119b1e3 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.145 Cc1ncsc1NC(F)C(=O)O 5e4f291aafee49ec0e633fd0e3498d13 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.145 Cc1ncsc1N[C@@H](F)C(=O)O ab10ab7bc0534fc6c508079a72cabe35 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.145 Cn1cncc1NC(F)C(=O)N 595e7f10e022860c594e5e773fba8b7d [0,1,0,0,0,0|3,0,0]=4 75 B12R1.145 Cn1nncc1NC(F)C(=O)O 7cc376522f8fae01126f919a8a107c19 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.145 Cn1nncc1N[C@@H](F)C(=O)O b5fe9db055882522e4d7b4cf8b58a5ee [0,1,0,0,0,0|3,0,0]=4 77 B12R1.298 O=C(O)C(CF)Nc1cncs1 1cb89229e359014da2b5d4b30b0d22ae [0,1,0,0,0,0|3,0,0]=4 78 B12R1.298 O=C(O)[C@H](CO)Nc1cncs1 1fdf4f3b0ec4595614d57bfc291ac5fa [0,1,0,0,0,0|3,0,0]=4 79 B12R1.43 CC(Nc1cccnc1)C(=O)O 659dd80270551d27c639c95faafb6472 [0,0,0,0,0,1|3,0,0]=4 80 B12R1.43 CC(Nc1ccncc1)C(=O)O 3264441d04234b09594e21abb0ee6864 [0,0,0,0,0,1|3,0,0]=4 81 B12R1.43 CC(Nc1ccnnc1)C(=O)O 519490bc7d53392f720f75f678bb1d8c [0,0,0,0,0,1|3,0,0]=4 82 B12R1.43 C[C@@H](Nc1cccnc1)C(=O)O f725611cd196ecb4e3173ce596f108d5 [0,0,0,0,0,1|3,0,0]=4 83 B12R1.43 C[C@@H](Nc1ccncc1)C(=O)O 764f440060b5ff5cba00cbd341e47e3c [0,0,0,0,0,1|3,0,0]=4 84 B12R1.43 C[C@@H](Nc1ccnnc1)C(=O)O 48245fd1ff64f6b59160539a78f36411 [0,0,0,0,0,1|3,0,0]=4 85 B12R1.43 C[C@H](Nc1cccnc1)C(=O)O dd8df90e032283b8c6411ff1e3f5a98a [0,0,0,0,0,1|3,0,0]=4 86 B12R1.43 C[C@H](Nc1ccncc1)C(=O)O 6e2a1f431f6b654b8228879fdc066074 [0,0,0,0,0,1|3,0,0]=4 87 B12R1.43 C[C@H](Nc1ccnnc1)C(=O)O ca7b3e0e8814e6f3a93ce6499b38a640 [0,0,0,0,0,1|3,0,0]=4 88 B12R1.43 O=C(O)C(F)Nc1cccnc1 455dc6c2ef68afd5d880209c8fe5a542 [0,0,0,0,0,1|3,0,0]=4 89 B12R1.43 O=C(O)C(F)Nc1ccncc1 cc45994f4e20e8fce4641239ea111ab9 [0,0,0,0,0,1|3,0,0]=4 90 B12R1.43 O=C(O)C(F)Nc1ccnnc1 ea51a58482e5810aeda051a1a3f25012 [0,0,0,0,0,1|3,0,0]=4 91 B12R1.43 O=C(O)C(F)Oc1ccnnc1 82bd72193cfc2a6b1e09b26b37ac2603 [0,0,0,0,0,1|3,0,0]=4 92 B12R1.43 O=C(O)[C@H](F)Nc1cccnc1 c741dd412e598c70d825973c9bcdacf7 [0,0,0,0,0,1|3,0,0]=4 93 B12R1.43 O=C(O)[C@H](F)Nc1ccncc1 a414a383322565f23e896d7ae5438835 [0,0,0,0,0,1|3,0,0]=4 94 B12R1.43 O=C(O)[C@H](F)Nc1ccnnc1 ccd9fa7a039cea40bc609227eae01224 [0,0,0,0,0,1|3,0,0]=4 95 B12R1.43 O=C(O)[C@H](F)Oc1ccnnc1 a754254263e704ba8f89960a88afb7a3 [0,0,0,0,0,1|3,0,0]=4 96 B12R1.260 CN(CC(=O)N)Cc1cnc[nH]1 7d5ef4bedf9ffd8210418837ca8969b8 [0,0,0,0,0,1|3,0,0]=4 97 B12R1.260 CN(CC(=O)O)Cc1ccc[nH]1 a3af0ce73bc1bb89e8a0a889c8e3d11b [0,0,0,0,0,1|3,0,0]=4 98 B12R1.260 CN(CC(=O)O)Cc1cnc[nH]1 7a77a4ce1b299416c3f201b02451d2ac [0,0,0,0,0,1|2,0,0]=3 99 B12R1.260 CN(CC(=O)O)Cc1cncs1 6c20b6c20e4df2687719c64cdb584d81 [0,0,0,0,0,1|3,0,0]=4 100 B12R1.264 C=C(CNc1cncs1)C(=O)O 341b70d4fc2248fa7557a9671de65a11 [0,0,0,0,0,1|2,0,1]=4 101 B12R1.264 CC(=O)C(C)NCc1ccc[nH]1 04e286644e5ad94107f6c808e59f682e [0,0,0,0,0,1|3,0,0]=4 102 B12R1.264 CC(=O)C(C)NCc1cnco1 40110984eab50ee89cd54d845ef87f71 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.264 CC(=O)C(C)NCc1cncs1 c7e1f6f774eb141b205175d38439cec8 [0,0,0,0,0,1|3,0,0]=4 104 B12R1.264 CC(=O)C(C)OCc1ccc[nH]1 ac54616b1c56e5017ec53f0ab4212789 [0,0,0,0,0,1|3,0,0]=4 105 B12R1.264 CC(=O)C(C)OCc1cnc[nH]1 7a22f685aa41a43b8644d11df353d22b [0,0,0,0,0,1|2,0,0]=3 106 B12R1.264 CC(=O)C(C)OCc1cnco1 cd826e632dc3b86c8ec243ae6c7ee8b5 [0,0,0,0,0,1|3,0,0]=4 107 B12R1.264 CC(=O)C(C)OCc1cnn[nH]1 c46eb2365049fb003133c9d14438d803 [0,0,0,0,0,1|3,0,0]=4 108 B12R1.264 CC(CNc1cccs1)C(=O)O d5aee0405632641ba66498b4b428e468 [0,0,0,0,0,1|3,0,0]=4 109 B12R1.264 CC(CNc1ccno1)C(=O)O da880251016ef7d1dc69fd3a8dbcf746 [0,0,0,0,0,1|3,0,0]=4 110 B12R1.264 CC(CNc1ccns1)C(=O)O b37454f5fad3c6804737e3ef67c0e36a [0,0,0,0,0,1|3,0,0]=4 111 B12R1.264 CC(CNc1ccoc1)C(=O)O caa42b0ed7eb764aa1ba4020e3285f22 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.264 CC(CNc1ccsc1)C(=O)O 0d3ef0c634714cac8101d51dbba5f2b3 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.264 CC(CNc1cn[nH]c1)C(=O)O 5aeb4cbb7d10b8ab48c7fdea12b35bc9 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.264 CC(CNc1cncs1)C(=O)O 829ce4a3b4df4f611007bf8e92a1b92b [0,0,0,0,0,1|2,0,0]=3 115 B12R1.264 CC(CNc1cnns1)C(=O)O 5453e5fd85471e6fbf28e69ae1d5bc18 [0,0,0,0,0,1|3,0,0]=4 116 B12R1.264 CC(CNc1cnoc1)C(=O)O f87d7f05278736210b250c7b8a64e728 [0,0,0,0,0,1|3,0,0]=4 117 B12R1.264 CC(CNc1cnon1)C(=O)O cbb564c4e104de64fd74f984729c2e51 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.264 CC(CNc1cnsc1)C(=O)O a37ae1b1f9213e23b04095334b8f03cb [0,0,0,0,0,1|3,0,0]=4 119 B12R1.264 CC(CNc1cnsn1)C(=O)O 339d5234d3619641adeeefb511c6b465 [0,0,0,0,0,1|2,0,1]=4 120 B12R1.264 CC(CNc1cocn1)C(=O)O daa07bf9076edd52f860b21024fab254 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.264 CC(CNc1cscn1)C(=O)O caf9e76e1b5a5d5ea4f8253db8746ea5 [0,0,0,0,0,1|2,0,1]=4 122 B12R1.264 CC(CNc1ncc[nH]1)C(=O)O 0fb1a660a9135225bb498a46f3db5608 [0,0,0,0,0,1|3,0,0]=4 123 B12R1.264 CC(CNc1ncns1)C(=O)O 73bf90a2250e3943bc4a3872d7028d08 [0,0,0,0,0,1|2,0,1]=4 124 B12R1.264 CC(CNc1nnco1)C(=O)O 1bdfd372c57fcb2d47104162f02c569c [0,0,0,0,0,1|3,0,0]=4 125 B12R1.264 CC(CNc1nncs1)C(=O)O 3030313f89c6b76888985be3241b7666 [0,0,0,0,0,1|3,0,0]=4 126 B12R1.264 CC(COc1c[nH]cn1)C(=O)O 245c4031e669c905f6c158578d242ea9 [0,0,0,0,0,1|1,0,2]=4 127 B12R1.264 CC(COc1ccco1)C(=O)O 7a6f8d7051a7cf005c1a3a5df32a97dd [0,0,0,0,0,1|3,0,0]=4 128 B12R1.264 CC(COc1cccs1)C(=O)O 6206a7d26a4a551fa387627ef611edee [0,0,0,0,0,1|3,0,0]=4 129 B12R1.264 CC(COc1ccn[nH]1)C(=O)O b42209f883856e88e17b7cce046989f2 [0,0,0,0,0,1|3,0,0]=4 130 B12R1.264 CC(COc1ccsc1)C(=O)O ab6e3e87a44461b518d8df2db5822b8f [0,0,0,0,0,1|3,0,0]=4 131 B12R1.264 CC(COc1cn[nH]c1)C(=O)O 0b888ab4f711165b44e47c033d608bf6 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.264 CC(COc1cnoc1)C(=O)O b404eee289fff4ff876f1e97bd7f4d63 [0,0,0,0,0,1|3,0,0]=4 133 B12R1.264 CC(COc1cnsn1)C(=O)O 0f659a7da23bdc3618fdcc1231667759 [0,0,0,0,0,1|2,0,1]=4 134 B12R1.264 CC(COc1nncs1)C(=O)O cc67aae4f84f2bbb9a568c299951c0e8 [0,0,0,0,0,1|3,0,0]=4 135 B12R1.264 CC(COn1ccnc1)C(=O)O c175925451e5ee2f1b126dedfeaab117 [0,0,0,0,0,1|3,0,0]=4 136 B12R1.264 CC(NCc1cc[nH]c1)C(=O)O 0f68a8eb5aa564c03c67ce3a8862ae4b [0,0,0,0,0,1|2,0,1]=4 137 B12R1.264 CC(NCc1ccc[nH]1)C(=O)N 20019614f14d29036304bb594fa00f00 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.264 CC(NCc1ccc[nH]1)C(=O)O 4fc8d12c3bd849eb41504c46b7b0a40c [0,0,0,0,0,1|2,0,0]=3 139 B12R1.264 CC(NCc1ccco1)C(=O)O c319a516f0551dc43f8198cb596ab8e1 [0,0,0,0,0,1|3,0,0]=4 140 B12R1.264 CC(NCc1cccs1)C(=O)O 35f32affd3feb8ac44d666c95b74c6dd [0,0,0,0,0,1|3,0,0]=4 141 B12R1.264 CC(NCc1ccn[nH]1)C(=O)O 61005fd9060e56c99fd90a4b810cec5a [0,0,0,0,0,1|3,0,0]=4 142 B12R1.264 CC(NCc1ccno1)C(=O)O 703297e5cb18898189a284b8a2a3bcdd [0,0,0,0,0,1|3,0,0]=4 143 B12R1.264 CC(NCc1ccsc1)C(=O)O 7e20284651e6d156136b4edaf78426c9 [0,0,0,0,0,1|3,0,0]=4 144 B12R1.264 CC(NCc1cn[nH]c1)C(=O)O 5e49b882b01e2cb5fbce0bedaca0ec00 [0,0,0,0,0,1|3,0,0]=4 145 B12R1.264 CC(NCc1cnc[nH]1)C(=O)N 185b00f8fe3dd1be68ade00d8c0475e1 [0,0,0,0,0,1|2,0,0]=3 146 B12R1.264 CC(NCc1cnc[nH]1)C(=O)O 5fd01e5c52e004b5446c31381a78e6b8 [0,0,0,0,0,1|1,0,0]=2 147 B12R1.264 CC(NCc1cnco1)C(=O)N ffeebed188f26d80c8900c056691adf6 [0,0,0,0,0,1|3,0,0]=4 148 B12R1.264 CC(NCc1cncs1)C(=O)N 87ccfc4449d8b157f5673bbb52f22e55 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.264 CC(NCc1cnoc1)C(=O)O 3e744dbba2c56a709dcd2a5a1c98d39f [0,0,0,0,0,1|3,0,0]=4 150 B12R1.264 CC(NCc1cocn1)C(=O)O 79338776eaa6e7d310be4e319b1b7617 [0,0,0,0,0,1|2,0,1]=4 151 B12R1.264 CC(NCc1cscn1)C(=O)O 5122a0aa4b4e7463bd2452f764ab7654 [0,0,0,0,0,1|2,0,1]=4 152 B12R1.264 CC(NCc1ncc[nH]1)C(=O)O 27b1139977661123c04ac39266c47deb [0,0,0,0,0,1|3,0,0]=4 153 B12R1.264 CC(NCc1ncno1)C(=O)O c84a81dc75381b6a90a1565f3ae394ab [0,0,0,0,0,1|2,0,1]=4 154 B12R1.264 CC(NCc1nnco1)C(=O)O da80688afc0755709871ebdb17f04408 [0,0,0,0,0,1|3,0,0]=4 155 B12R1.264 CC(NCc1nnn[nH]1)C(=O)O f5d9bf6f811ca348750b670b0b08dbcd [0,0,0,0,0,1|3,0,0]=4 156 B12R1.264 CC(NCn1cncn1)C(=O)O e11d41d9979bdb3fc75deea8e0c4c92c [0,0,0,0,0,1|2,0,1]=4 157 B12R1.264 CC(O)C(C)NCc1cnc[nH]1 b525e78dbf901b604725f6166dc212f4 [0,0,0,0,0,1|2,0,1]=4 158 B12R1.264 CC(OCc1ccc[nH]1)C(=O)N 6f66af4f2cf8bc4c22fad56b794d5ff8 [0,0,0,0,0,1|3,0,0]=4 159 B12R1.264 CC(OCc1ccc[nH]1)C(=O)O 61ba5b0a57e11c6c0adf44075c450f91 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.264 CC(OCc1ccco1)C(=O)O ea0ec8b3d4418b5b853084248ac11705 [0,0,0,0,0,1|3,0,0]=4 161 B12R1.264 CC(OCc1cccs1)C(=O)O 08163a009fcb3ae0d7a32b8ac5a002b4 [0,0,0,0,0,1|3,0,0]=4 162 B12R1.264 CC(OCc1ccn[nH]1)C(=O)O 45f088e56c9ab3c68fb32d109828d69d [0,0,0,0,0,1|3,0,0]=4 163 B12R1.264 CC(OCc1ccno1)C(=O)O dd584e2652bb27cc3f67cbe91fa4095f [0,0,0,0,0,1|3,0,0]=4 164 B12R1.264 CC(OCc1ccsc1)C(=O)O cc2d4bb96c83ab4fefddf678a230b8ef [0,0,0,0,0,1|3,0,0]=4 165 B12R1.264 CC(OCc1cnc[nH]1)C(=O)N 6cf0f58547b6a5467252a2dd61105ee6 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.264 CC(OCc1cnc[nH]1)C(=O)O de2839e9ca23192e6088f1a817af1052 [0,0,0,0,0,1|1,0,0]=2 167 B12R1.264 CC(OCc1cnco1)C(=O)N c9fb62d40dc4215feee58acb958be036 [0,0,0,0,0,1|3,0,0]=4 168 B12R1.264 CC(OCc1cnn[nH]1)C(=O)N ee6c2175a4db5e92a8478dba65f851e4 [0,0,0,0,0,1|3,0,0]=4 169 B12R1.264 CC(OCc1cnn[nH]1)C(=O)O 8c83cdfe85fc38527c4ce057a63f3dbe [0,0,0,0,0,1|2,0,0]=3 170 B12R1.264 CC(OCc1cnoc1)C(=O)O 173ffb7d8e51ba1dec51beb624007c7a [0,0,0,0,0,1|3,0,0]=4 171 B12R1.264 CC(OCc1cocn1)C(=O)O d2307781a281d9750cce24eca64a052a [0,0,0,0,0,1|2,0,1]=4 172 B12R1.264 CC(OCc1cscn1)C(=O)O 662d94ace04be15e56d220570f202e72 [0,0,0,0,0,1|2,0,1]=4 173 B12R1.264 CC(OCc1ncc[nH]1)C(=O)O 05147d56b4975df561dfae286b5a796c [0,0,0,0,0,1|3,0,0]=4 174 B12R1.264 CC(OCc1nnco1)C(=O)O 460d242263cfd4a2560c4d4d955389da [0,0,0,0,0,1|3,0,0]=4 175 B12R1.264 CC(OCn1ccnc1)C(=O)O 5d38c0db3c855f413094fcfebc498fc4 [0,0,0,0,0,1|3,0,0]=4 176 B12R1.264 CC(OCn1cncn1)C(=O)O d43f452305aa063589b2f31ee88da7ad [0,0,0,0,0,1|2,0,1]=4 177 B12R1.264 C[C@@H](CNc1cccs1)C(=O)O 36f40f54c0195974dba71c4008a2fd85 [0,0,0,0,0,1|3,0,0]=4 178 B12R1.264 C[C@@H](CNc1ccns1)C(=O)O 7f5eb4edd8e90a17983485f25950902f [0,0,0,0,0,1|3,0,0]=4 179 B12R1.264 C[C@@H](CNc1ccoc1)C(=O)O 7e1a5dad6c2dcf365a5179a60db7f270 [0,0,0,0,0,1|3,0,0]=4 180 B12R1.264 C[C@@H](CNc1ccsc1)C(=O)O 667e34a1cef70b7d98b82dd820fbf9cc [0,0,0,0,0,1|3,0,0]=4 181 B12R1.264 C[C@@H](CNc1cnoc1)C(=O)O 117e2367bc177ae466a8397b4271dfd2 [0,0,0,0,0,1|3,0,0]=4 182 B12R1.264 C[C@@H](CNc1cnsc1)C(=O)O 3bc976c68aeb98a2358b8ba62e0d0e10 [0,0,0,0,0,1|3,0,0]=4 183 B12R1.264 C[C@@H](CNc1cnsn1)C(=O)O d92d3130b0a9ec0d22c08bbc0da5b87b [0,0,0,0,0,1|2,0,1]=4 184 B12R1.264 C[C@@H](CNc1ncns1)C(=O)O 43ad99507ba5d11b53b1846ed084f86c [0,0,0,0,0,1|2,0,1]=4 185 B12R1.264 C[C@@H](NCc1cc[nH]c1)C(=O)O 46b5b63667dbb74163f0d0634ec62632 [0,0,0,0,0,1|2,0,1]=4 186 B12R1.264 C[C@@H](NCc1ccc[nH]1)C(=O)N 207ed58d70eac35af0402553212a7601 [0,0,0,0,0,1|3,0,0]=4 187 B12R1.264 C[C@@H](NCc1ccc[nH]1)C(=O)O e64ab9433432397adfc723a0af1c1d37 [0,0,0,0,0,1|2,0,0]=3 188 B12R1.264 C[C@@H](NCc1ccco1)C(=O)O f66e8200ab7ca65408eb4032ac3c04cb [0,0,0,0,0,1|3,0,0]=4 189 B12R1.264 C[C@@H](NCc1cccs1)C(=O)O c3e5edd476189e2baf4244a02905922b [0,0,0,0,0,1|3,0,0]=4 190 B12R1.264 C[C@@H](NCc1ccn[nH]1)C(=O)O 3609d48e73e80ce67f2e5779ba641d76 [0,0,0,0,0,1|3,0,0]=4 191 B12R1.264 C[C@@H](NCc1ccno1)C(=O)O d3138ea4788d1876b94e5bc457b4976f [0,0,0,0,0,1|3,0,0]=4 192 B12R1.264 C[C@@H](NCc1ccsc1)C(=O)O 72d3514295059250fd5c171da31a3be6 [0,0,0,0,0,1|3,0,0]=4 193 B12R1.264 C[C@@H](NCc1cn[nH]c1)C(=O)O 5315743a029fe7274f7d8804f08281e0 [0,0,0,0,0,1|3,0,0]=4 194 B12R1.264 C[C@@H](NCc1cnc[nH]1)C(=O)N 2f5fef99329f645065eadd99067e9daa [0,0,0,0,0,1|2,0,0]=3 195 B12R1.264 C[C@@H](NCc1cnc[nH]1)C(=O)O 8072a52538746211f76f8f89fd21f43d [0,0,0,0,0,1|1,0,0]=2 196 B12R1.264 C[C@@H](NCc1cnco1)C(=O)N 509471357b1b4180522173d0b8885da2 [0,0,0,0,0,1|3,0,0]=4 197 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N bd5532e6181d5d0818a5b667f72064e9 [0,0,0,0,0,1|3,0,0]=4 198 B12R1.264 C[C@@H](NCc1cnoc1)C(=O)O d96ced06a7bea1aa96a9567a7fff138c [0,0,0,0,0,1|3,0,0]=4 199 B12R1.264 C[C@@H](NCc1cocn1)C(=O)O 3b4469f3f3477699e1689a8dee819dfb [0,0,0,0,0,1|2,0,1]=4 200 B12R1.264 C[C@@H](NCc1cscn1)C(=O)O a502778873f4bd841b4f8ec2889df571 [0,0,0,0,0,1|2,0,1]=4 201 B12R1.264 C[C@@H](NCc1ncc[nH]1)C(=O)O 98d7033517a24b3f74db285c7a54c175 [0,0,0,0,0,1|3,0,0]=4 202 B12R1.264 C[C@@H](NCc1ncno1)C(=O)O 15ec6b783ef3654aff91823d2e8e463f [0,0,0,0,0,1|2,0,1]=4 203 B12R1.264 C[C@@H](NCc1nnco1)C(=O)O d627e73d5a36dd7178aa6a6fa0a89401 [0,0,0,0,0,1|3,0,0]=4 204 B12R1.264 C[C@@H](NCc1nnn[nH]1)C(=O)O abbe233e4179c3b47ac26eb6ad3a03a9 [0,0,0,0,0,1|3,0,0]=4 205 B12R1.264 C[C@@H](NCn1cncn1)C(=O)O c355034c78f6c3753edfc54ca03847e6 [0,0,0,0,0,1|2,0,1]=4 206 B12R1.264 C[C@@H](OCc1ccc[nH]1)C(=O)N 91039797b0d6f8437bd79505203e237c [0,0,0,0,0,1|3,0,0]=4 207 B12R1.264 C[C@@H](OCc1ccc[nH]1)C(=O)O ce50ebde7847a550a3f616c11348c149 [0,0,0,0,0,1|2,0,0]=3 208 B12R1.264 C[C@@H](OCc1ccco1)C(=O)O 24b40db53c5ba5cfac18e494ea2c2556 [0,0,0,0,0,1|3,0,0]=4 209 B12R1.264 C[C@@H](OCc1cccs1)C(=O)O cacac9d803e52efd56c6368eea765b6c [0,0,0,0,0,1|3,0,0]=4 210 B12R1.264 C[C@@H](OCc1ccn[nH]1)C(=O)O bc3035dd72b9468c279344bd7b374054 [0,0,0,0,0,1|3,0,0]=4 211 B12R1.264 C[C@@H](OCc1ccno1)C(=O)O 6925d6b5b182e669a839d089343eafbf [0,0,0,0,0,1|3,0,0]=4 212 B12R1.264 C[C@@H](OCc1ccsc1)C(=O)O 8cb13f71e057e36ef4b9058d7085ac0d [0,0,0,0,0,1|3,0,0]=4 213 B12R1.264 C[C@@H](OCc1cnc[nH]1)C(=O)N 7a40f4c2a59bfafe13b8c941086bb931 [0,0,0,0,0,1|2,0,0]=3 214 B12R1.264 C[C@@H](OCc1cnc[nH]1)C(=O)O 57513390a0ec0e0d9ce393c930ffeff1 [0,0,0,0,0,1|1,0,0]=2 215 B12R1.264 C[C@@H](OCc1cnco1)C(=O)N 0ff47dfdf279770a8c5ea8b3a470bcad [0,0,0,0,0,1|3,0,0]=4 216 B12R1.264 C[C@@H](OCc1cnn[nH]1)C(=O)N 545bd54bf2152d0c3eb40fa86164365a [0,0,0,0,0,1|3,0,0]=4 217 B12R1.264 C[C@@H](OCc1cnn[nH]1)C(=O)O 1d5a3ee00d9527bec174a7d7fac37450 [0,0,0,0,0,1|2,0,0]=3 218 B12R1.264 C[C@@H](OCc1cnoc1)C(=O)O ca38e7f33c8a5bc93f1f815379cdbd7b [0,0,0,0,0,1|3,0,0]=4 219 B12R1.264 C[C@@H](OCc1cocn1)C(=O)O f37a952a5ca3f1eb837b8e3bc4a12694 [0,0,0,0,0,1|2,0,1]=4 220 B12R1.264 C[C@@H](OCc1cscn1)C(=O)O 0b6e3935c06d3e38b1c1241c3c931910 [0,0,0,0,0,1|2,0,1]=4 221 B12R1.264 C[C@@H](OCc1ncc[nH]1)C(=O)O 77d32d268d32d240a7c40a30ff9cf3f7 [0,0,0,0,0,1|3,0,0]=4 222 B12R1.264 C[C@@H](OCc1nnco1)C(=O)O e9d8381286ba74921734e19587a1f825 [0,0,0,0,0,1|3,0,0]=4 223 B12R1.264 C[C@@H](OCn1ccnc1)C(=O)O 445102e1f7148558153b12f004fbb9b3 [0,0,0,0,0,1|3,0,0]=4 224 B12R1.264 C[C@@H](OCn1cncn1)C(=O)O bef9fc721f15717fcc8e516e1d1e1847 [0,0,0,0,0,1|2,0,1]=4 225 B12R1.264 C[C@H](CNc1cccs1)C(=O)O e53f1969ee75fa74c5d5402ee0554d37 [0,0,0,0,0,1|3,0,0]=4 226 B12R1.264 C[C@H](CNc1ccns1)C(=O)O dae60143a0e4c687e396c8257b39fb6b [0,0,0,0,0,1|3,0,0]=4 227 B12R1.264 C[C@H](CNc1ccoc1)C(=O)O 8c27e59f6c34a9b54bc82f1f4d017fa5 [0,0,0,0,0,1|3,0,0]=4 228 B12R1.264 C[C@H](CNc1ccsc1)C(=O)O 9e6545097f7599e8b77b51f8e93671e7 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.264 C[C@H](CNc1cnoc1)C(=O)O 2adf862d8cfde98053761687ab7bf51f [0,0,0,0,0,1|3,0,0]=4 230 B12R1.264 C[C@H](CNc1cnsc1)C(=O)O 739bc65db120073e064bca448939f053 [0,0,0,0,0,1|3,0,0]=4 231 B12R1.264 C[C@H](CNc1cnsn1)C(=O)O ebf133e68cb72abc5345753368f6daae [0,0,0,0,0,1|2,0,1]=4 232 B12R1.264 C[C@H](CNc1ncns1)C(=O)O d0ad9c7deec7399b2de607f3dfb05f26 [0,0,0,0,0,1|2,0,1]=4 233 B12R1.264 C[C@H](NCc1cc[nH]c1)C(=O)O ebf27c5b9c9ac8cbdb6fe64615ba7786 [0,0,0,0,0,1|2,0,1]=4 234 B12R1.264 C[C@H](NCc1ccc[nH]1)C(=O)N c0bd8b612e36d70cf4961cde77c5c2d3 [0,0,0,0,0,1|3,0,0]=4 235 B12R1.264 C[C@H](NCc1ccc[nH]1)C(=O)O 9b8b9d64c279e25e8ad6788acf42279d [0,0,0,0,0,1|2,0,0]=3 236 B12R1.264 C[C@H](NCc1ccco1)C(=O)O dc75f5c529d6c10465091ee0f469007c [0,0,0,0,0,1|3,0,0]=4 237 B12R1.264 C[C@H](NCc1cccs1)C(=O)O 19e0b90b8f25975a38c79f132b35a17a [0,0,0,0,0,1|3,0,0]=4 238 B12R1.264 C[C@H](NCc1ccn[nH]1)C(=O)O bb3b314d6a9812ddc4b7c848c707fdea [0,0,0,0,0,1|3,0,0]=4 239 B12R1.264 C[C@H](NCc1ccno1)C(=O)O c0f19b7d97097d119df4ae59ed327347 [0,0,0,0,0,1|3,0,0]=4 240 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O a4e89ef994c546ca1c28f18810159699 [0,0,0,0,0,1|3,0,0]=4 241 B12R1.264 C[C@H](NCc1cn[nH]c1)C(=O)O 4d15b48b0f0aece8b9495d2684eab978 [0,0,0,0,0,1|3,0,0]=4 242 B12R1.264 C[C@H](NCc1cnc[nH]1)C(=O)N 2c07e099075bb7bcc8ff5d98def8944a [0,0,0,0,0,1|2,0,0]=3 243 B12R1.264 C[C@H](NCc1cnc[nH]1)C(=O)O 00c69e1f7c525a4a63e5620aadb2e77a [0,0,0,0,0,1|1,0,0]=2 244 B12R1.264 C[C@H](NCc1cnco1)C(=O)N d42eaea23d3180a70f78d6e398c4e560 [0,0,0,0,0,1|3,0,0]=4 245 B12R1.264 C[C@H](NCc1cncs1)C(=O)N daec276e3ddcad98db30e464374affa2 [0,0,0,0,0,1|3,0,0]=4 246 B12R1.264 C[C@H](NCc1cnoc1)C(=O)O d6f4ba9a4ed0033f8f6b40edb9b67880 [0,0,0,0,0,1|3,0,0]=4 247 B12R1.264 C[C@H](NCc1cocn1)C(=O)O d8252163bbe20116d828138954cdeeed [0,0,0,0,0,1|2,0,1]=4 248 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 2e81da56e2f15eba8930b3089c8e657d [0,0,0,0,0,1|2,0,1]=4 249 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O c062d4c3068a2955bab0e223b1142e0c [0,0,0,0,0,1|3,0,0]=4 250 B12R1.264 C[C@H](NCc1ncno1)C(=O)O d6518c3e8b8d49c9ed7ee7b249b8c325 [0,0,0,0,0,1|2,0,1]=4 251 B12R1.264 C[C@H](NCc1nnco1)C(=O)O 86f8ad77566f11fe2b0aecbac2ab6249 [0,0,0,0,0,1|3,0,0]=4 252 B12R1.264 C[C@H](NCc1nnn[nH]1)C(=O)O 8f6e41c30b0c868a875e78cd2050d9ec [0,0,0,0,0,1|3,0,0]=4 253 B12R1.264 C[C@H](NCn1cncn1)C(=O)O f220b57cef039b55dcb3b8f877433290 [0,0,0,0,0,1|2,0,1]=4 254 B12R1.264 C[C@H](OCc1ccc[nH]1)C(=O)N c4bb28dabf0f03fdd8aae9430ae30221 [0,0,0,0,0,1|3,0,0]=4 255 B12R1.264 C[C@H](OCc1ccc[nH]1)C(=O)O f8708ae157c4b7a06ba0b64336368194 [0,0,0,0,0,1|2,0,0]=3 256 B12R1.264 C[C@H](OCc1ccco1)C(=O)O 0dbd1fbe414c5b9823f07ff9348cbb8b [0,0,0,0,0,1|3,0,0]=4 257 B12R1.264 C[C@H](OCc1cccs1)C(=O)O 5212c7f60fb0680f3018f3cc4058c232 [0,0,0,0,0,1|3,0,0]=4 258 B12R1.264 C[C@H](OCc1ccn[nH]1)C(=O)O 54ea88b568ee902acfbcf48b4fc3b12a [0,0,0,0,0,1|3,0,0]=4 259 B12R1.264 C[C@H](OCc1ccno1)C(=O)O 9fd796cda209283dd57379fdc3546967 [0,0,0,0,0,1|3,0,0]=4 260 B12R1.264 C[C@H](OCc1ccsc1)C(=O)O 13fda23e9ebb483a5f852fd2eb47dbfd [0,0,0,0,0,1|3,0,0]=4 261 B12R1.264 C[C@H](OCc1cnc[nH]1)C(=O)N 4eb087a5ffb5c528f75c984579a295ae [0,0,0,0,0,1|2,0,0]=3 262 B12R1.264 C[C@H](OCc1cnc[nH]1)C(=O)O 758b1fdd707f8b4610b0469e202b24ef [0,0,0,0,0,1|1,0,0]=2 263 B12R1.264 C[C@H](OCc1cnco1)C(=O)N 03bfe2a269e36d128d9eab503759fa78 [0,0,0,0,0,1|3,0,0]=4 264 B12R1.264 C[C@H](OCc1cnn[nH]1)C(=O)N a102d1801760404c1a534c27d264f8a2 [0,0,0,0,0,1|3,0,0]=4 265 B12R1.264 C[C@H](OCc1cnn[nH]1)C(=O)O 90b2950804b080f2494e1cc4c209107f [0,0,0,0,0,1|2,0,0]=3 266 B12R1.264 C[C@H](OCc1cnoc1)C(=O)O ec7003849758a5f59e5b7513508e2dd9 [0,0,0,0,0,1|3,0,0]=4 267 B12R1.264 C[C@H](OCc1cocn1)C(=O)O 8c32c1073bb7eff7c8e7ff4f450a6c2b [0,0,0,0,0,1|2,0,1]=4 268 B12R1.264 C[C@H](OCc1cscn1)C(=O)O d6b5181fe037bd05d6c94c6238528047 [0,0,0,0,0,1|2,0,1]=4 269 B12R1.264 C[C@H](OCc1ncc[nH]1)C(=O)O d6a26085f03e22437c39f324ec9e4d9d [0,0,0,0,0,1|3,0,0]=4 270 B12R1.264 C[C@H](OCc1nnco1)C(=O)O 059d78d531358572e733aa4be26344e0 [0,0,0,0,0,1|3,0,0]=4 271 B12R1.264 C[C@H](OCn1ccnc1)C(=O)O dd0e29e3d54c4ac942e88ce0c2a5e3df [0,0,0,0,0,1|3,0,0]=4 272 B12R1.264 C[C@H](OCn1cncn1)C(=O)O d3e67b7cc269a0ed4e68467d77e6c19f [0,0,0,0,0,1|2,0,1]=4 273 B12R1.264 NC(=O)C(F)NCc1ccc[nH]1 1db9f91a344ea07390de5a05d423ddab [0,0,0,0,0,1|3,0,0]=4 274 B12R1.264 NC(=O)C(F)NCc1cnco1 4022a073b4d3bbf027bd11532b1c8af5 [0,0,0,0,0,1|3,0,0]=4 275 B12R1.264 NC(=O)C(F)OCc1ccc[nH]1 42687bd8f2975d848d60978942208352 [0,0,0,0,0,1|3,0,0]=4 276 B12R1.264 NC(=O)C(F)OCc1cnc[nH]1 5349ff97249c66c699228d953fbec8d2 [0,0,0,0,0,1|2,0,0]=3 277 B12R1.264 NC(=O)C(F)OCc1cnco1 bd286ad9f30b76b61b22570f3feea248 [0,0,0,0,0,1|3,0,0]=4 278 B12R1.264 NC(=O)C(F)OCc1cnn[nH]1 030e0bb9ec0cd786684ec9180fe9a7ed [0,0,0,0,0,1|3,0,0]=4 279 B12R1.264 O=C(O)C(=O)CNc1cncs1 ad78f4ed3b4b37c1322184be750697df [0,0,0,0,0,1|2,0,1]=4 280 B12R1.264 O=C(O)C(F)CNc1c[nH]cn1 bb4690315184d6dc10be286b1626b0ba [0,0,0,0,0,1|1,0,2]=4 281 B12R1.264 O=C(O)C(F)CNc1ccco1 47f66d077227cecf64f14590791c092c [0,0,0,0,0,1|3,0,0]=4 282 B12R1.264 O=C(O)C(F)CNc1cccs1 154685e7c16d28aaa4053f42d925eafe [0,0,0,0,0,1|3,0,0]=4 283 B12R1.264 O=C(O)C(F)CNc1ccns1 9ad0cc05279f84ff0bea503c3e68af0d [0,0,0,0,0,1|3,0,0]=4 284 B12R1.264 O=C(O)C(F)CNc1ccoc1 b790d65f1b572b539cec8c13264170f8 [0,0,0,0,0,1|3,0,0]=4 285 B12R1.264 O=C(O)C(F)CNc1ccsc1 ee00a525ae925e98e2c8d87e1a1c5e99 [0,0,0,0,0,1|3,0,0]=4 286 B12R1.264 O=C(O)C(F)CNc1cncs1 3d7f434c911361bd5ab2bd760e23f867 [0,0,0,0,0,1|2,0,0]=3 287 B12R1.264 O=C(O)C(F)CNc1cnoc1 3ba2b59922886ffcc33cb5bf20bd439b [0,0,0,0,0,1|3,0,0]=4 288 B12R1.264 O=C(O)C(F)CNc1cnsc1 29d9073fadc17246764e74a8be76b8d8 [0,0,0,0,0,1|3,0,0]=4 289 B12R1.264 O=C(O)C(F)CNc1cnsn1 aa611ca349c08800e39e3256604b0567 [0,0,0,0,0,1|2,0,1]=4 290 B12R1.264 O=C(O)C(F)CNc1ncns1 f8279a7d58b4f7d61128e43e84e1a916 [0,0,0,0,0,1|2,0,1]=4 291 B12R1.264 O=C(O)C(F)NCc1ccc[nH]1 1f521af02f4442f9f16f9bed5c2ae584 [0,0,0,0,0,1|2,0,0]=3 292 B12R1.264 O=C(O)C(F)NCc1ccn[nH]1 38f0c9a3f51728530a95e8ebc9c10df8 [0,0,0,0,0,1|3,0,0]=4 293 B12R1.264 O=C(O)C(F)NCc1ccno1 f854701fc7c16e9f1a2c52db6c9d60c8 [0,0,0,0,0,1|3,0,0]=4 294 B12R1.264 O=C(O)C(F)NCc1ncn[nH]1 34db099dc1b2198c8d501849aaafd607 [0,0,0,0,0,1|2,0,1]=4 295 B12R1.264 O=C(O)C(F)NCc1nnn[nH]1 72a9223e98db112edb9a46671b24babd [0,0,0,0,0,1|3,0,0]=4 296 B12R1.264 O=C(O)C(F)OCc1ccc[nH]1 55a8816d24090e1374cf339290e5eba8 [0,0,0,0,0,1|2,0,0]=3 297 B12R1.264 O=C(O)C(F)OCc1ccn[nH]1 9659c674dbab60c1b35b860963fb479c [0,0,0,0,0,1|3,0,0]=4 298 B12R1.264 O=C(O)C(F)OCc1ccno1 e8ac97e67de01caab7068b75fb3c9b75 [0,0,0,0,0,1|3,0,0]=4 299 B12R1.264 O=C(O)C(F)OCc1cnn[nH]1 50d4e75861e07fe0e4df8e594d1d0106 [0,0,0,0,0,1|2,0,0]=3 300 B12R1.264 O=C(O)C(F)OCn1ccnc1 b49c032150226a8334dd8445e703b352 [0,0,0,0,0,1|3,0,0]=4 301 B12R1.264 O=C(O)C(F)OCn1cncn1 ca7af2b4ce3ae1c3e66d7e7b3d56b873 [0,0,0,0,0,1|2,0,1]=4 302 B12R1.264 O=C(O)C(O)CNc1ccco1 3adfee59226b548cd1bd91b5c4bcbcc2 [0,0,0,0,0,1|3,0,0]=4 303 B12R1.264 O=C(O)C(O)CNc1cccs1 dc210d17cc9994139be44384e13bd799 [0,0,0,0,0,1|3,0,0]=4 304 B12R1.264 O=C(O)C(O)CNc1ccno1 6f8a0218d75c41498fb1abfa0e0f0d91 [0,0,0,0,0,1|3,0,0]=4 305 B12R1.264 O=C(O)C(O)CNc1ccns1 34add7db681a7f94a3e95f2e964d172e [0,0,0,0,0,1|3,0,0]=4 306 B12R1.264 O=C(O)C(O)CNc1ccoc1 e2079c293eada4eabb2fe7711025dc8d [0,0,0,0,0,1|3,0,0]=4 307 B12R1.264 O=C(O)C(O)CNc1ccsc1 2dc0f67f0ac53525af2afcdd1c806935 [0,0,0,0,0,1|3,0,0]=4 308 B12R1.264 O=C(O)C(O)CNc1cn[nH]c1 ec6958611f55db382531699d89ba78e3 [0,0,0,0,0,1|3,0,0]=4 309 B12R1.264 O=C(O)C(O)CNc1cncs1 81e34056e195126f5e6b5b5f6e1ab7b3 [0,0,0,0,0,1|2,0,0]=3 310 B12R1.264 O=C(O)C(O)CNc1cnoc1 dd54793b8e555e1b246db432953efd22 [0,0,0,0,0,1|3,0,0]=4 311 B12R1.264 O=C(O)C(O)CNc1cnon1 65d05aae42c3f9a6447e482ee635b4a6 [0,0,0,0,0,1|2,0,1]=4 312 B12R1.264 O=C(O)C(O)CNc1cnsc1 c9d23e7ebbae7f36421e0111e397e7a1 [0,0,0,0,0,1|3,0,0]=4 313 B12R1.264 O=C(O)C(O)CNc1cnsn1 f62dd44912e0d47e02932f3e56f91de4 [0,0,0,0,0,1|2,0,1]=4 314 B12R1.264 O=C(O)C(O)CNc1cocn1 388cc67b99a8578564cf48b86b72dd81 [0,0,0,0,0,1|2,0,1]=4 315 B12R1.264 O=C(O)C(O)CNc1cscn1 fe9e9990a6b8f1025608d830bb8febd8 [0,0,0,0,0,1|2,0,1]=4 316 B12R1.264 O=C(O)C(O)CNc1ncc[nH]1 7b66c89deba50c31967bff7d4e5dcd32 [0,0,0,0,0,1|3,0,0]=4 317 B12R1.264 O=C(O)C(O)CNc1ncns1 9bafed44eccd7b132eb99e026f1b0059 [0,0,0,0,0,1|2,0,1]=4 318 B12R1.264 O=C(O)C(O)NCc1ccco1 6207fbed09c8a679c1ea59efc3aa193b [0,0,0,0,0,1|3,0,0]=4 319 B12R1.264 O=C(O)C(O)NCc1cccs1 abf3250f71bbc4b8b83f4511bf154b8c [0,0,0,0,0,1|3,0,0]=4 320 B12R1.264 O=C(O)C(O)NCc1ccno1 7f8dc7dccd95b281b5fe83277c3dc0f7 [0,0,0,0,0,1|3,0,0]=4 321 B12R1.264 O=C(O)C(O)NCc1ccsc1 017b43e8fd266ba8958c55525e699f81 [0,0,0,0,0,1|3,0,0]=4 322 B12R1.264 O=C(O)C(O)NCc1cnc[nH]1 abf92b03229a8e69ad4a1efc841013cf [0,0,0,0,0,1|1,0,0]=2 323 B12R1.264 O=C(O)C(O)NCc1cnoc1 c40cfadf26506fbc42c9367970169300 [0,0,0,0,0,1|3,0,0]=4 324 B12R1.264 O=C(O)C(O)NCc1cocn1 23d369fd7ce4115c7e2b99e447a3410d [0,0,0,0,0,1|2,0,1]=4 325 B12R1.264 O=C(O)C(O)NCc1cscn1 5808dde616b51074a3f126940a1fe4ee [0,0,0,0,0,1|2,0,1]=4 326 B12R1.264 O=C(O)C(O)NCc1ncc[nH]1 c957bca5033c86d6c9d6c7028055246d [0,0,0,0,0,1|3,0,0]=4 327 B12R1.264 O=C(O)C(O)NCc1ncno1 08ebffddf80f9ef03a097a95f7299e48 [0,0,0,0,0,1|2,0,1]=4 328 B12R1.264 O=C(O)C(O)NCc1nnco1 2bacacaf6e0325342f2b1fd136b95393 [0,0,0,0,0,1|3,0,0]=4 329 B12R1.264 O=C(O)C(O)NCc1nnn[nH]1 399c4c9bdc17576158504160f8bc43ed [0,0,0,0,0,1|3,0,0]=4 330 B12R1.264 O=C(O)C(O)NCn1cncn1 af1fd3369327d192108160700df0a3bd [0,0,0,0,0,1|2,0,1]=4 331 B12R1.264 O=C(O)[C@@H](O)CNc1ccco1 9bc05dfbd9966ded5aca3d805afae0e3 [0,0,0,0,0,1|3,0,0]=4 332 B12R1.264 O=C(O)[C@@H](O)CNc1cccs1 55776a097e5feb7925b7f1926d970d14 [0,0,0,0,0,1|3,0,0]=4 333 B12R1.264 O=C(O)[C@@H](O)CNc1ccno1 fc07ee328d013fcab1c4aab8c281e2cb [0,0,0,0,0,1|3,0,0]=4 334 B12R1.264 O=C(O)[C@@H](O)CNc1ccns1 47d507550b0e1a6da7debb8c2c93e1c1 [0,0,0,0,0,1|3,0,0]=4 335 B12R1.264 O=C(O)[C@@H](O)CNc1ccoc1 c1c29f11c7656e0e8de4233379fb6f1d [0,0,0,0,0,1|3,0,0]=4 336 B12R1.264 O=C(O)[C@@H](O)CNc1ccsc1 def04efe3c8298e9f06db8710a4bf9af [0,0,0,0,0,1|3,0,0]=4 337 B12R1.264 O=C(O)[C@@H](O)CNc1cn[nH]c1 94fb76460b69075d926a0a48be6a70eb [0,0,0,0,0,1|3,0,0]=4 338 B12R1.264 O=C(O)[C@@H](O)CNc1cncs1 6a8e15679757e1e3198c303d3bcf2dab [0,0,0,0,0,1|2,0,0]=3 339 B12R1.264 O=C(O)[C@@H](O)CNc1cnoc1 b626245f644c36a361d97b58bb831742 [0,0,0,0,0,1|3,0,0]=4 340 B12R1.264 O=C(O)[C@@H](O)CNc1cnon1 4b931369485630bbca59381ef2b5034e [0,0,0,0,0,1|2,0,1]=4 341 B12R1.264 O=C(O)[C@@H](O)CNc1cnsc1 5d1d99847b399da49f65cf360ae8af3e [0,0,0,0,0,1|3,0,0]=4 342 B12R1.264 O=C(O)[C@@H](O)CNc1cnsn1 41751ddf0e69c2b62fad3ffe1a18daf6 [0,0,0,0,0,1|2,0,1]=4 343 B12R1.264 O=C(O)[C@@H](O)CNc1cocn1 50815e042aa5afaf7edaa2ee1819ca98 [0,0,0,0,0,1|2,0,1]=4 344 B12R1.264 O=C(O)[C@@H](O)CNc1cscn1 5d2648181e11a5f5fada8c128d5da88d [0,0,0,0,0,1|2,0,1]=4 345 B12R1.264 O=C(O)[C@@H](O)CNc1ncc[nH]1 819efc88efb1502d2e8d967343109ab2 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.264 O=C(O)[C@@H](O)CNc1ncns1 b5c66ccfb9afdfdd72aea50df83b573b [0,0,0,0,0,1|2,0,1]=4 347 B12R1.264 O=C(O)[C@H](F)NCc1ccc[nH]1 151cdb980a45dd9963475f3716396c83 [0,0,0,0,0,1|2,0,0]=3 348 B12R1.264 O=C(O)[C@H](F)NCc1ccn[nH]1 cbb66f51c173c9317065f20f7483c0eb [0,0,0,0,0,1|3,0,0]=4 349 B12R1.264 O=C(O)[C@H](F)NCc1ccno1 3bbee615729b6c8a4500f99e0a074bb7 [0,0,0,0,0,1|3,0,0]=4 350 B12R1.264 O=C(O)[C@H](F)OCc1ccc[nH]1 e9845ea5908baa30e23ac64121a03e08 [0,0,0,0,0,1|2,0,0]=3 351 B12R1.264 O=C(O)[C@H](F)OCc1ccn[nH]1 20c047b2040223ab5dde0c850f7f3b23 [0,0,0,0,0,1|3,0,0]=4 352 B12R1.264 O=C(O)[C@H](F)OCc1ccno1 985359deedb7b876b7d7dd598b8cfaaf [0,0,0,0,0,1|3,0,0]=4 353 B12R1.264 O=C(O)[C@H](F)OCc1cnn[nH]1 59c23276c5070a19286d2aa879a5cb48 [0,0,0,0,0,1|2,0,0]=3 354 B12R1.264 O=C(O)[C@H](F)OCn1ccnc1 18004c308bcd711f9fb51d58b8db1503 [0,0,0,0,0,1|3,0,0]=4 355 B12R1.264 O=C(O)[C@H](F)OCn1cncn1 98e7573cfcd0fab8f534c63c94f17b59 [0,0,0,0,0,1|2,0,1]=4 356 B12R1.264 O=C(O)[C@H](O)CNc1ccco1 8a3558ba898061a1b897176e7f21ec6b [0,0,0,0,0,1|3,0,0]=4 357 B12R1.264 O=C(O)[C@H](O)CNc1cccs1 677bfa3d040f51c788dcbfb418c99767 [0,0,0,0,0,1|3,0,0]=4 358 B12R1.264 O=C(O)[C@H](O)CNc1ccns1 9789bab47372e4b0fe5d901be1ddfebf [0,0,0,0,0,1|3,0,0]=4 359 B12R1.264 O=C(O)[C@H](O)CNc1ccoc1 0a27509104734f4cf39f40e03f1b4ade [0,0,0,0,0,1|3,0,0]=4 360 B12R1.264 O=C(O)[C@H](O)CNc1ccsc1 ab203d4f27e650014f6899f1b320328b [0,0,0,0,0,1|3,0,0]=4 361 B12R1.264 O=C(O)[C@H](O)CNc1cncs1 854d5adbbb3a127a5d573060525f9677 [0,0,0,0,0,1|2,0,0]=3 362 B12R1.264 O=C(O)[C@H](O)CNc1cnoc1 3efdc9c47dd0bc92eebad4ed3f45f942 [0,0,0,0,0,1|3,0,0]=4 363 B12R1.264 O=C(O)[C@H](O)CNc1cnsc1 c747eadf35d19d8d6fed075e2739abdf [0,0,0,0,0,1|3,0,0]=4 364 B12R1.264 O=C(O)[C@H](O)CNc1cnsn1 8a2d9b2e7ccf5dd6850fc32fad8b5185 [0,0,0,0,0,1|2,0,1]=4 365 B12R1.264 O=C(O)[C@H](O)CNc1ncns1 c1dc51bc9ea021cbc38f00385c999d48 [0,0,0,0,0,1|2,0,1]=4 366 B9R1.12 O=CCNc1cncs1 5f5a2584eb4c060b08c3c591786f1ea1 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.12 O=CNCc1cnco1 ee7ea837847f21c2df5abd28f3d73bda [2,0,0,0,0,0|2,0,0]=4 368 B9R1.12 O=CNCc1cncs1 20afedbba0f28c6c3d07abf84cac939f [2,0,0,0,0,0|2,0,0]=4 369 B11R1.228 CC(C=O)Nc1cncn1C ded1356c91651dee61f4a89336db7961 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.228 CN(C=O)Cc1cncn1C 0888c04d30694b340933939ccd93d497 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.228 C[C@H](C=O)Nc1cncn1C 256531d6311104cf6a5bda05e96ebd45 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.25 C=C(C=O)OCc1cnc[nH]1 49263fcc527572c4dfc8bd9ef022fcc2 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.25 COC(=O)CNc1cncs1 c01a099ef8dc3588d722571f51d1b087 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.25 O=C(CNc1cncs1)NO 7efd0ea3a158d89eb90da3386e7a1bda [1,1,0,0,0,0|2,0,0]=4 375 B11R1.25 O=C(CO)CNc1cncs1 fcbfd578c3981ba268fa75874125c4c8 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.25 O=C(CO)NCc1cnco1 4a13a21d3b08dc48052a719f6e101dbd [1,1,0,0,0,0|2,0,0]=4 377 B11R1.25 O=C(CO)NCc1cncs1 ed003aa244bdb50fb4baaedf7d0fc0f9 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.75 Cc1ncc(o1)NCC(=O)O 1bb34fb248c6b88fa831a709082f154b [1,1,0,0,0,0|2,0,0]=4 379 B11R1.75 Cc1ncc(s1)NCC(=O)O 2826180d608035aa91fa4c4a4bc18023 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.75 O=C(O)CNc1cnc(s1)Br f8a534bd4db2d02db2fb8362d6087fc0 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.75 O=C(O)CNc1cnc(s1)S 6732c764807fa70083430ac6947c6169 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.77 CN(CC(=O)O)c1nnc[nH]1 78c96d436d5af055dd2d40db8e68da38 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.90 CC(=O)NCc1cncn1C 29854fad683d3dbe89e1694fa8b6fea2 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.90 Cc1nc[nH]c1NCC(=O)N 6a1245c6a2d3cae3db04a2a8bfb7b213 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.90 Cc1ncsc1NCC(=O)O 23a180e40897b7b0e9ce0b672a350c2a [1,1,0,0,0,0|2,0,0]=4 386 B11R1.90 Cn1cccc1OCC(=O)O 2c2a3fabddbc43f29fb56431b18105f2 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.90 Cn1cncc1NCC(=O)N e058563020cbf812e0c1f8fb240fd68e [1,1,0,0,0,0|2,0,0]=4 388 B11R1.90 Cn1cncc1NCC(=O)O c217c06c9dea5e7c144b697dc3bdaec4 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.90 Cn1nncc1NCC(=O)O 929d210d2bf382ab4bf992a663b6a48a [1,1,0,0,0,0|2,0,0]=4 390 B13R1.202 O=C(O)C(F)Nc1c[nH]cnc1=O fbb2db8b1e74c2dad96f39a558d7cff9 [0,1,0,0,0,1|2,0,0]=4 391 B13R1.202 O=C(O)C(F)Oc1c[nH]cnc1=O 011856098be3a946f3d5f7653c7d9a83 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.202 O=C(O)[C@H](F)Nc1c[nH]cnc1=O cf364b63de0fa19468ae9b19e57a4d16 [0,1,0,0,0,1|2,0,0]=4 393 B13R1.202 O=C(O)[C@H](F)Oc1c[nH]cnc1=O de6fd3fe3f3f374846e873dd26c98c5f [0,1,0,0,0,1|2,0,0]=4 394 B13R1.282 CN(CC(=O)O)Cc1cncn1C 1056c061bb46331573fbfb5cafc651d8 [0,1,0,0,0,1|2,0,0]=4 395 B13R1.282 Cc1nc[nH]c1NC(C)CC(=O)O 866c66cd224b24fa95dd41a5e03aafe9 [0,1,0,0,0,1|2,0,0]=4 396 B13R1.282 Cc1nc[nH]c1N[C@@H](C)CC(=O)O 6a055f07c6cfb03e5d5afd27a1ec3e70 [0,1,0,0,0,1|2,0,0]=4 397 B13R1.282 Cc1nc[nH]c1N[C@H](C)CC(=O)O cf3e76e837960bc05bd0d41bcba28c4d [0,1,0,0,0,1|2,0,0]=4 398 B13R1.346 CC(C(=O)O)N(C)Cc1cnc[nH]1 a07c526fea3861c16187f1df26d58879 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.346 C[C@@H](C(=O)O)N(C)Cc1cnc[nH]1 7d1bbe283679ab568ca2b0111b9ca963 [0,1,0,0,0,1|2,0,0]=4 400 B13R1.346 C[C@H](C(=O)O)N(C)Cc1cnc[nH]1 fcf97d9009b81a8d8e7410442066ab88 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.420 CCN(CC(=O)O)Cc1cnc[nH]1 a2774edb81320acc03a9a309a8f497fb [0,1,0,0,0,1|2,0,0]=4 402 B13R1.545 COC(=O)CN(C)Cc1cnc[nH]1 114aacb29f71b27c285bc58afa9b686a [0,1,0,0,0,1|2,0,0]=4 403 B13R1.169 C=C(CNc1cncn1C)C(=O)O e716401256a1a57705f66d715a53af50 [0,1,0,0,0,1|1,0,1]=4 404 B13R1.169 CC(=O)C(C)NCc1cncn1C a2ac65c4381b69993e6bb584ce6b9545 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.169 CC(=O)C(C)OCc1cncn1C d7a3d6bfdbb19dec3cd833b363225373 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.169 CC(CNc1cncn1C)C(=O)O 4ad3e0e0d82fe70d74f64dce33346e96 [0,1,0,0,0,1|1,0,0]=3 407 B13R1.169 CC(CNc1cnnn1C)C(=O)O b21ab41d8fe033bebcf264704a697499 [0,1,0,0,0,1|2,0,0]=4 408 B13R1.169 CC(COc1cccn1C)C(=O)O 16e8c4f63bd3325c948747229e150348 [0,1,0,0,0,1|2,0,0]=4 409 B13R1.169 CC(NCc1cccn1C)C(=O)O d530f1454df004880d04ac88a2ddc890 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.169 CC(NCc1cncn1C)C(=O)N b6eed111596617a8f05f9f83804097bc [0,1,0,0,0,1|2,0,0]=4 411 B13R1.169 CC(NCc1cncn1C)C(=O)O a6d408a2da42b9f999a3032216affb10 [0,1,0,0,0,1|1,0,0]=3 412 B13R1.169 CC(NCc1scnc1Cl)C(=O)O 47fd5e0d98c613ee9625c9fc04bf084b [0,1,0,0,0,1|2,0,0]=4 413 B13R1.169 CC(OCc1cncn1C)C(=O)O ee4ad588ebe060884ecf39687a81141f [0,1,0,0,0,1|1,0,0]=3 414 B13R1.169 CC(OCc1scnc1Cl)C(=O)O f56aa87387f162bc4ff3f5804d696ee9 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.169 C[C@@H](NCc1cccn1C)C(=O)O 6dcfc21b7a80f86532bfb7547f2cb81b [0,1,0,0,0,1|2,0,0]=4 416 B13R1.169 C[C@@H](NCc1cncn1C)C(=O)N 4a154aff979327e5e52f1c2c4b010dde [0,1,0,0,0,1|2,0,0]=4 417 B13R1.169 C[C@@H](NCc1cncn1C)C(=O)O c595cb7473f74efc4d9b051421768bd5 [0,1,0,0,0,1|1,0,0]=3 418 B13R1.169 C[C@@H](NCc1scnc1Cl)C(=O)O e54ede2a3d0ace8fd83996142d479202 [0,1,0,0,0,1|2,0,0]=4 419 B13R1.169 C[C@@H](OCc1cncn1C)C(=O)O 40c5c4d25be0d31936539362188bc80d [0,1,0,0,0,1|1,0,0]=3 420 B13R1.169 C[C@@H](OCc1scnc1Cl)C(=O)O 4543d550238138b0a2a94d9b6e60c883 [0,1,0,0,0,1|2,0,0]=4 421 B13R1.169 C[C@H](NCc1cccn1C)C(=O)O 31ec308e4d6601fd15c4399be59c15a4 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.169 C[C@H](NCc1cncn1C)C(=O)N 9408132286c3eda48a345c4d75b1cb31 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.169 C[C@H](NCc1cncn1C)C(=O)O afe2bd603099fb283717c4a3c33fabcd [0,1,0,0,0,1|1,0,0]=3 424 B13R1.169 C[C@H](NCc1scnc1Cl)C(=O)O ba31f8f605bdb66add9468feb9e6d3a6 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.169 C[C@H](OCc1cncn1C)C(=O)O c0b01b2e686d5cf85e574ab8c870988a [0,1,0,0,0,1|1,0,0]=3 426 B13R1.169 C[C@H](OCc1scnc1Cl)C(=O)O a3a5ac5222e051128d00624c3aa5fdd0 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.169 Cc1ncoc1COC(F)C(=O)O 36cf3d0f5125db6685e80249fc040050 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.169 Cc1ncoc1CO[C@@H](F)C(=O)O bd44254c18f8aed3603be4ccb4bbdd97 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.169 Cc1ncsc1CNC(C)C(=O)O 656e8083004a697224da7467b608ab59 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.169 Cc1ncsc1CNC(O)C(=O)O 442f517a8a0a4b656e302221b1584ea6 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.169 Cc1ncsc1CN[C@@H](C)C(=O)O b505dd3ad3a0493133097a01152c21f6 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.169 Cc1ncsc1CN[C@H](C)C(=O)O 5341f77e24a935d2c4c0c46c3025d707 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.169 Cc1ncsc1COC(C)C(=O)O 55c55748fa1e55657514e49234f09947 [0,1,0,0,0,1|2,0,0]=4 434 B13R1.169 Cc1ncsc1CO[C@@H](C)C(=O)O 32fa01b0d26f28a5d4e1f2c87a3d8f41 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.169 Cc1ncsc1CO[C@H](C)C(=O)O c59a5b28f4aac76f899f286af656e11a [0,1,0,0,0,1|2,0,0]=4 436 B13R1.169 Cc1ncsc1NCC(C)C(=O)O e5a15ba2d5780a59baa9ce59a8fc9789 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.169 Cc1ncsc1NCC(O)C(=O)O 48bb32dbf1947faa73f9ef5eb26ccc22 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.169 Cc1ncsc1NC[C@H](O)C(=O)O 7f94e60b61802cf81bf9ec5651978135 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.169 Cc1nn[nH]c1NCC(F)C(=O)O 67e89dee41d5e9f5e92b179f77036b13 [0,1,0,0,0,1|2,0,0]=4 440 B13R1.169 Cn1cccc1CNC(F)C(=O)O 0f0c71cf14d1fb3304e6a170cafaf66c [0,1,0,0,0,1|2,0,0]=4 441 B13R1.169 Cn1cccc1CN[C@@H](F)C(=O)O c1126d20ece5c8254497dd824dd64d67 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.169 Cn1cccc1NCC(O)C(=O)O 462c6bb367bc9ff980a63873685880c0 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.169 Cn1cccc1NC[C@@H](O)C(=O)O 6f4495056853edcac137ad1efad0dc37 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.169 Cn1cccc1NC[C@H](O)C(=O)O 956feac1759c02a6e5b5f566ed17ab44 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.169 Cn1cncc1CNC(F)C(=O)N 4ea9cdaa51e955dfc91c062005621008 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.169 Cn1cncc1CNC(O)C(=O)O 5cc9e3da98688929c4abd558f720f58f [0,1,0,0,0,1|1,0,0]=3 447 B13R1.169 Cn1cncc1NCC(=O)C(=O)O fc38f73f45a8876f5885793791281018 [0,1,0,0,0,1|1,0,1]=4 448 B13R1.169 Cn1cncc1NCC(F)C(=O)O 9bea97cccf365ac258404c11b84c5586 [0,1,0,0,0,1|1,0,0]=3 449 B13R1.169 Cn1cncc1NCC(O)C(=O)O c67fa1bca2c7e21a4d649e61a7ec2f87 [0,1,0,0,0,1|1,0,0]=3 450 B13R1.169 Cn1cncc1NC[C@@H](O)C(=O)O a40a23fed6e348fe37a203ef20751145 [0,1,0,0,0,1|1,0,0]=3 451 B13R1.169 Cn1cncc1NC[C@H](O)C(=O)O 1524abb77e0065bbbacd6948345979f4 [0,1,0,0,0,1|1,0,0]=3 452 B13R1.169 Cn1nncc1NCC(O)C(=O)O 66d5610b37b0d9d6477d70f201e1d13c [0,1,0,0,0,1|2,0,0]=4 453 B13R1.169 Cn1nncc1NC[C@H](O)C(=O)O 7d6f5e3c468a48f82e7ccb88327d410c [0,1,0,0,0,1|2,0,0]=4 454 B13R1.169 O=C(O)C(O)NCc1scnc1Cl 4eb9a34314cb153313b09520dd6db9cb [0,1,0,0,0,1|2,0,0]=4 455 B13R1.339 CC(CN(C)c1nnc[nH]1)C(=O)O 3720410217891e213983007d81a27d5b [0,1,0,0,0,1|2,0,0]=4 456 B13R1.554 CCC(=O)C(C)OCc1cnc[nH]1 11e90840326030b85356e1de8e7024f3 [0,1,0,0,0,1|2,0,0]=4 457 B13R1.554 CNC(=O)C(C)NCc1cnc[nH]1 8a0cdb04eb00b908dcc966f8620defc3 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.554 CNC(=O)C(C)OCc1cnc[nH]1 cead38e03e7c2f1598776317adaa4d52 [0,1,0,0,0,1|2,0,0]=4 459 B13R1.554 COC(=O)C(C)CNc1cncs1 9c91c7ca64a57c214869180de9c549da [0,1,0,0,0,1|2,0,0]=4 460 B13R1.554 COC(=O)C(C)NCc1ccc[nH]1 c11f4b93c5740a362dd594fb90053073 [0,1,0,0,0,1|2,0,0]=4 461 B13R1.554 COC(=O)C(C)NCc1cnco1 51f67b3f7935437bc4bca79e8c8a0341 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.554 COC(=O)C(C)NCc1cncs1 26f3e7dc77ec54605338f27e6e160384 [0,1,0,0,0,1|2,0,0]=4 463 B13R1.554 COC(=O)C(C)OCc1ccc[nH]1 edb0dd6d578f6dcff8d432e5cc5cbf4c [0,1,0,0,0,1|2,0,0]=4 464 B13R1.554 COC(=O)C(C)OCc1cnc[nH]1 6d7750798b33819371f414aaa69af537 [0,1,0,0,0,1|1,0,0]=3 465 B13R1.554 COC(=O)C(C)OCc1cnn[nH]1 cb4039daddc8aa7c3544c6c6e5d72558 [0,1,0,0,0,1|2,0,0]=4 466 B13R1.554 COC(=O)[C@@H](C)CNc1cncs1 2775d1926796b2c0ed222aaa0d1af4ef [0,1,0,0,0,1|2,0,0]=4 467 B13R1.554 COC(=O)[C@@H](C)NCc1ccc[nH]1 aca2bfb7c5c0c58dfd6e7ab8f41fff63 [0,1,0,0,0,1|2,0,0]=4 468 B13R1.554 COC(=O)[C@@H](C)NCc1cnco1 d2d2abd7e1faf8e1685168c0f653d50b [0,1,0,0,0,1|2,0,0]=4 469 B13R1.554 COC(=O)[C@@H](C)NCc1cncs1 3bdc27e4fbff89cd90fd9a0310a474b4 [0,1,0,0,0,1|2,0,0]=4 470 B13R1.554 COC(=O)[C@@H](C)OCc1ccc[nH]1 d1861a435a7b24f1e0e08ca934401b26 [0,1,0,0,0,1|2,0,0]=4 471 B13R1.554 COC(=O)[C@@H](C)OCc1cnc[nH]1 57ef329b9657ba6b9da2678ccf46f2f0 [0,1,0,0,0,1|1,0,0]=3 472 B13R1.554 COC(=O)[C@@H](C)OCc1cnn[nH]1 41933c72073a2f895e0585472eb1e7df [0,1,0,0,0,1|2,0,0]=4 473 B13R1.554 COC(=O)[C@H](C)CNc1cncs1 442c94da58cb5475b804d9b5438900f4 [0,1,0,0,0,1|2,0,0]=4 474 B13R1.554 COC(=O)[C@H](C)NCc1ccc[nH]1 cbec36380e25402f771ead957ac56092 [0,1,0,0,0,1|2,0,0]=4 475 B13R1.554 COC(=O)[C@H](C)NCc1cnco1 34bdb24d14d0316a9b6c6e1a8d9db8b4 [0,1,0,0,0,1|2,0,0]=4 476 B13R1.554 COC(=O)[C@H](C)NCc1cncs1 9d07f88d6238164b8824c7b096bd135f [0,1,0,0,0,1|2,0,0]=4 477 B13R1.554 COC(=O)[C@H](C)OCc1ccc[nH]1 b840ed4b6316502a09387948f83a6a35 [0,1,0,0,0,1|2,0,0]=4 478 B13R1.554 COC(=O)[C@H](C)OCc1cnc[nH]1 f2afcca1728af5c184c11d2b878b3da4 [0,1,0,0,0,1|1,0,0]=3 479 B13R1.554 COC(=O)[C@H](C)OCc1cnn[nH]1 f436eb937003412394b0997bb7d0aa32 [0,1,0,0,0,1|2,0,0]=4 480 B13R1.1074 CC(=O)C(C)(C)NCc1cnc[nH]1 838525df9dfe5da4128f1936911bedea [0,1,0,0,0,1|2,0,0]=4 481 B13R1.1074 CC(C)(CNc1cncs1)C(=O)O f5cc0294502538d1cc0e8664c6d5e348 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.1074 CC(C)(NCc1cnc[nH]1)C(=O)N 53aa429cc557e589e875fc439cd7dda2 [0,1,0,0,0,1|2,0,0]=4 483 B13R1.1074 CC(C)(NCc1cnc[nH]1)C(=O)O 7f0fac4831ebad58bd57461a8388c5c4 [0,1,0,0,0,1|1,0,0]=3 484 B13R1.1074 CC(O)(CNc1cncs1)C(=O)O de3286046fa2dc98bfdfbf903416c711 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.1074 C[C@@](O)(CNc1cncs1)C(=O)O 6f4584ddf31cb554b15078897db38f23 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.1074 C[C@](O)(CNc1cncs1)C(=O)O b574edc7db2fa86f161de9b1f742b66d [0,1,0,0,0,1|2,0,0]=4 487 B13R1.3383 C#CC(OCc1cnc[nH]1)C(=O)O 2bfecf0490e45dc52f64a85b828d700d [0,1,0,0,0,1|1,0,0]=3 488 B13R1.3383 C/C=C(\OCc1cnc[nH]1)/C(=O)O 3ef38953f3f1a9204845c12e6163e601 [0,1,0,0,0,1|1,0,1]=4 489 B13R1.3383 C=CC(NCc1cnc[nH]1)C(=O)O 5186c9cd79e52f2a6a6728b7284cece1 [0,1,0,0,0,1|1,0,0]=3 490 B13R1.3383 C=CC(NCc1cnco1)C(=O)O 3121f6f2dfb402091b7274162e0e1b65 [0,1,0,0,0,1|2,0,0]=4 491 B13R1.3383 C=C[C@H](NCc1cnc[nH]1)C(=O)O 2f11b13c15fb5c4f501926a697f32a63 [0,1,0,0,0,1|1,0,0]=3 492 B13R1.3383 C=C[C@H](NCc1cnco1)C(=O)O e21c25f310c1c0c0115388ffb27c03ec [0,1,0,0,0,1|2,0,0]=4 493 B13R1.3383 CCC(NCc1ccc[nH]1)C(=O)O 76d254fb35a2049a16e3cce326f25841 [0,1,0,0,0,1|2,0,0]=4 494 B13R1.3383 CCC(NCc1cnc[nH]1)C(=O)N aebb088c4b6e61e8a9f147ff78317f7d [0,1,0,0,0,1|2,0,0]=4 495 B13R1.3383 CCC(NCc1cnc[nH]1)C(=O)O 16930ca45e471eff60915debbdffe193 [0,1,0,0,0,1|1,0,0]=3 496 B13R1.3383 CCC(NCc1cnco1)C(=O)O 755acb3e69e5e028f43634826ed3bed9 [0,1,0,0,0,1|2,0,0]=4 497 B13R1.3383 CCC(OCc1ccc[nH]1)C(=O)O efe0009474248833f813e9d6bfaf69a0 [0,1,0,0,0,1|2,0,0]=4 498 B13R1.3383 CCC(OCc1cnc[nH]1)C(=O)N c987686639f24d8fcc73a823b8cb13d0 [0,1,0,0,0,1|2,0,0]=4 499 B13R1.3383 CCC(OCc1cnc[nH]1)C(=O)O f3f4b7da16ac35db84332c657f034c25 [0,1,0,0,0,1|1,0,0]=3 500 B13R1.3383 CCC(OCc1cnco1)C(=O)O 4ce5cad7eec52093f7e8f2e201c92f7a [0,1,0,0,0,1|2,0,0]=4 501 B13R1.3383 CCC(OCc1cnn[nH]1)C(=O)O 5ac4495ca6f921a13d50fa6e0b42eb01 [0,1,0,0,0,1|2,0,0]=4 502 B13R1.3383 CC[C@@H](NCc1ccc[nH]1)C(=O)O 3ad43b895f30ac65b151fc1eda3a68ec [0,1,0,0,0,1|2,0,0]=4 503 B13R1.3383 CC[C@@H](NCc1cnc[nH]1)C(=O)O 1570630a2712abaa999f0273671810c8 [0,1,0,0,0,1|1,0,0]=3 504 B13R1.3383 CC[C@@H](NCc1cnco1)C(=O)O 471bff746f75d6186c78929deefa929f [0,1,0,0,0,1|2,0,0]=4 505 B13R1.3383 CC[C@@H](OCc1ccc[nH]1)C(=O)O 4e0b8ec8d0144acbbd6f1d63d045641a [0,1,0,0,0,1|2,0,0]=4 506 B13R1.3383 CC[C@@H](OCc1cnc[nH]1)C(=O)O db8963fa1497f3914645415e761b771d [0,1,0,0,0,1|1,0,0]=3 507 B13R1.3383 CC[C@@H](OCc1cnco1)C(=O)O b704584f6d0e297335d89e2e5ddae8bb [0,1,0,0,0,1|2,0,0]=4 508 B13R1.3383 CC[C@@H](OCc1cnn[nH]1)C(=O)O d20f216708038a93cdd38cd7b7ef35ae [0,1,0,0,0,1|2,0,0]=4 509 B13R1.3383 CC[C@H](NCc1ccc[nH]1)C(=O)O 5dc152f9bb5045b47229466787c9fbbf [0,1,0,0,0,1|2,0,0]=4 510 B13R1.3383 CC[C@H](NCc1cnc[nH]1)C(=O)N 1c6ee47fbf628e78f82b5f25177b0430 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.3383 CC[C@H](NCc1cnc[nH]1)C(=O)O 18bc56c58801fa66202e6deb23611adf [0,1,0,0,0,1|1,0,0]=3 512 B13R1.3383 CC[C@H](NCc1cnco1)C(=O)O ec47382b47971511a8b1b94aa06972a9 [0,1,0,0,0,1|2,0,0]=4 513 B13R1.3383 CC[C@H](OCc1ccc[nH]1)C(=O)O 27dd63b1bbfdcea19c64a29749635991 [0,1,0,0,0,1|2,0,0]=4 514 B13R1.3383 CC[C@H](OCc1cnc[nH]1)C(=O)O 5ee3efddbf00a4462a9249a4f73cf19e [0,1,0,0,0,1|1,0,0]=3 515 B13R1.3383 CC[C@H](OCc1cnco1)C(=O)O 9ecf8bb5ad9a922df0dfa53b0bad0d67 [0,1,0,0,0,1|2,0,0]=4 516 B13R1.3383 CC[C@H](OCc1cnn[nH]1)C(=O)O 63a8be9436cc30d6b3d042f084ef5f13 [0,1,0,0,0,1|2,0,0]=4 517 B13R1.3383 N#CC(NCc1cnc[nH]1)C(=O)N a4e8bf755035db933e80ea0135f434e9 [0,1,0,0,0,1|1,0,1]=4 518 B13R1.3383 NC(=O)C(CO)NCc1cnc[nH]1 12a9b98af86cc317f714029a717870d8 [0,1,0,0,0,1|2,0,0]=4 519 B13R1.3383 NC(=O)[C@H](CO)NCc1cnc[nH]1 67d99e9ceca96cd97d2b7a47efdad464 [0,1,0,0,0,1|2,0,0]=4 520 B13R1.3383 O=C(O)C(CCl)NCc1cnc[nH]1 357c89e2f551a600862ba4a742289263 [0,1,0,0,0,1|1,0,0]=3 521 B13R1.3383 O=C(O)C(CF)NCc1ccc[nH]1 e9fd59052c459e675dc8173f1fbffda5 [0,1,0,0,0,1|2,0,0]=4 522 B13R1.3383 O=C(O)C(CF)NCc1cnc[nH]1 607d08c6f8a526666cc1da0fb834000a [0,1,0,0,0,1|1,0,0]=3 523 B13R1.3383 O=C(O)C(CF)NCc1cnco1 2f3d22fbd826635466a454966f8c40e5 [0,1,0,0,0,1|2,0,0]=4 524 B13R1.3383 O=C(O)C(CF)OCc1ccc[nH]1 5fc19e4316a760ca34f896b0f5048183 [0,1,0,0,0,1|2,0,0]=4 525 B13R1.3383 O=C(O)C(CF)OCc1cnc[nH]1 0ac5bd395637a313994f862ded2bfd85 [0,1,0,0,0,1|1,0,0]=3 526 B13R1.3383 O=C(O)C(CF)OCc1cnco1 ebf86af480836938c7bcb6b0ae0461ee [0,1,0,0,0,1|2,0,0]=4 527 B13R1.3383 O=C(O)C(CF)OCc1cnn[nH]1 7979ecbd3927d4dfe133ba258505d405 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.3383 O=C(O)C(CO)NCc1ccc[nH]1 ea1d6a48562bb81329c5ee63885b2539 [0,1,0,0,0,1|2,0,0]=4 529 B13R1.3383 O=C(O)C(CO)NCc1cnc[nH]1 49652a8202aa460c6fb701d34caec061 [0,1,0,0,0,1|1,0,0]=3 530 B13R1.3383 O=C(O)C(CO)NCc1cnco1 c48ba6de39de3a8edf40a982ebe8f6d8 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.3383 O=C(O)C(CS)NCc1cnc[nH]1 0da0d78def3554c7c653cb38bf8b864b [0,1,0,0,0,1|1,0,0]=3 532 B13R1.3383 O=C(O)[C@@H](CCl)NCc1cnc[nH]1 67a3c3eba26bae4adfc450ea67a85826 [0,1,0,0,0,1|1,0,0]=3 533 B13R1.3383 O=C(O)[C@@H](CO)NCc1ccc[nH]1 c6e89fc35bce4d2282952e7d83431dfc [0,1,0,0,0,1|2,0,0]=4 534 B13R1.3383 O=C(O)[C@@H](CO)NCc1cnc[nH]1 58c41323fd9eec16f4b293539e40897e [0,1,0,0,0,1|1,0,0]=3 535 B13R1.3383 O=C(O)[C@@H](CO)NCc1cnco1 652ceffd43846aeef7a0f0f6140ff5c5 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.3383 O=C(O)[C@@H](CS)NCc1cnc[nH]1 2a282500a3e2bb49d893922be9e164d6 [0,1,0,0,0,1|1,0,0]=3 537 B13R1.3383 O=C(O)[C@H](CCl)NCc1cnc[nH]1 20644ac529426a0178789b8cdea62d15 [0,1,0,0,0,1|1,0,0]=3 538 B13R1.3383 O=C(O)[C@H](CO)NCc1ccc[nH]1 7f42b0e1350dd367b66ba2478974ff2e [0,1,0,0,0,1|2,0,0]=4 539 B13R1.3383 O=C(O)[C@H](CO)NCc1cnc[nH]1 eed6cbe15d351c6a097eeb34135f018e [0,1,0,0,0,1|1,0,0]=3 540 B13R1.3383 O=C(O)[C@H](CO)NCc1cnco1 293499bed72c81a878cc8ff123bdaef8 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.3383 O=C(O)[C@H](CO)NCc1cncs1 93cd51e3377e2d0ae9bdd7589f54b9f4 [0,1,0,0,0,1|2,0,0]=4 542 B13R1.3383 O=C(O)[C@H](CS)NCc1cnc[nH]1 92d92c93a166e1aad3da44f3288a26d8 [0,1,0,0,0,1|1,0,0]=3 543 B13R1.3425 CC(CNc1cnc(s1)Br)C(=O)O e1006bd5d54f4c3191db4332b0d55dae [0,1,0,0,0,1|2,0,0]=4 544 B13R1.3425 CC(CNc1cnc(s1)S)C(=O)O fee76ede9d9d101997b515aa9e4f320f [0,1,0,0,0,1|2,0,0]=4 545 B13R1.3425 CC(NCc1cc(c[nH]1)Br)C(=O)O 7f0741c74fa26b1e5049545a5bf335e1 [0,1,0,0,0,1|2,0,0]=4 546 B13R1.3425 CC(NCc1cnc(s1)Br)C(=O)O 81b161313de42643320b86a67b69f9f8 [0,1,0,0,0,1|2,0,0]=4 547 B13R1.3425 CC(NCc1cnc(s1)Cl)C(=O)O 40dd782edd500aa7448f119933bb7d69 [0,1,0,0,0,1|2,0,0]=4 548 B13R1.3425 CC(OCc1cnc(s1)Br)C(=O)O e659e08ffa13cbea8575de1b16d8a850 [0,1,0,0,0,1|2,0,0]=4 549 B13R1.3425 CC(OCc1cnc(s1)Cl)C(=O)O c9f5dbaaa4742d818cf784cddc3cce90 [0,1,0,0,0,1|2,0,0]=4 550 B13R1.3425 C[C@@H](NCc1cc(c[nH]1)Br)C(=O)O e220246782b5b742b3a500ce1fc96911 [0,1,0,0,0,1|2,0,0]=4 551 B13R1.3425 C[C@@H](NCc1cnc(s1)Br)C(=O)O 96cf05655da24325cb74dcd263447f45 [0,1,0,0,0,1|2,0,0]=4 552 B13R1.3425 C[C@@H](NCc1cnc(s1)Cl)C(=O)O 8b63abd0b49f393f53d7886cadddf57d [0,1,0,0,0,1|2,0,0]=4 553 B13R1.3425 C[C@@H](OCc1cnc(s1)Br)C(=O)O 0ea7529e9bc58b2bc4c4d741a100d7e5 [0,1,0,0,0,1|2,0,0]=4 554 B13R1.3425 C[C@@H](OCc1cnc(s1)Cl)C(=O)O 9c0cc86f01b002c97381f729232b0ab7 [0,1,0,0,0,1|2,0,0]=4 555 B13R1.3425 C[C@H](NCc1cc(c[nH]1)Br)C(=O)O dea107d90d63b9d9df71bac251e6890b [0,1,0,0,0,1|2,0,0]=4 556 B13R1.3425 C[C@H](NCc1cnc(s1)Br)C(=O)O c2f5090b2b44d2ff559ebedaf3075252 [0,1,0,0,0,1|2,0,0]=4 557 B13R1.3425 C[C@H](NCc1cnc(s1)Cl)C(=O)O 8c44207d5ffcf3c840dfcce19f5a0603 [0,1,0,0,0,1|2,0,0]=4 558 B13R1.3425 C[C@H](OCc1cnc(s1)Br)C(=O)O 1b72a67d0467a76af1d02651a6f513d2 [0,1,0,0,0,1|2,0,0]=4 559 B13R1.3425 C[C@H](OCc1cnc(s1)Cl)C(=O)O 77df2666c489b1adc8884302ead71723 [0,1,0,0,0,1|2,0,0]=4 560 B13R1.3425 Cc1ncc(o1)CNC(C)C(=O)O 18db84306b56b80ed572156b0bf32166 [0,1,0,0,0,1|2,0,0]=4 561 B13R1.3425 Cc1ncc(o1)CNC(O)C(=O)O 73f6c0c9717d66e02237d5ea446cc204 [0,1,0,0,0,1|2,0,0]=4 562 B13R1.3425 Cc1ncc(o1)CN[C@@H](C)C(=O)O 73790279e057b303b1d717ad1578999f [0,1,0,0,0,1|2,0,0]=4 563 B13R1.3425 Cc1ncc(o1)CN[C@H](C)C(=O)O 763a2a6dd14f2b9f248e9393f57beff1 [0,1,0,0,0,1|2,0,0]=4 564 B13R1.3425 Cc1ncc(o1)NCC(C)C(=O)O f67a319579270b16a2754e3d063905e4 [0,1,0,0,0,1|2,0,0]=4 565 B13R1.3425 Cc1ncc(o1)NCC(O)C(=O)O db30b5639916838bab2834743a3605df [0,1,0,0,0,1|2,0,0]=4 566 B13R1.3425 Cc1ncc(o1)NC[C@H](O)C(=O)O e6929f6cf6d29bb46584b99b266cf203 [0,1,0,0,0,1|2,0,0]=4 567 B13R1.3425 Cc1ncc(s1)CNC(C)C(=O)O 13bd1d2fbe2c17b00414a22bdcd8da20 [0,1,0,0,0,1|2,0,0]=4 568 B13R1.3425 Cc1ncc(s1)CNC(O)C(=O)O 6807bc19778d5bf92ed8fc633e7f549e [0,1,0,0,0,1|2,0,0]=4 569 B13R1.3425 Cc1ncc(s1)CN[C@@H](C)C(=O)O c097f9378a40f3cd2c11a7edaf0fddc3 [0,1,0,0,0,1|2,0,0]=4 570 B13R1.3425 Cc1ncc(s1)CN[C@H](C)C(=O)O 4e8f9ec8860c5c14ef2aeef5e939840f [0,1,0,0,0,1|2,0,0]=4 571 B13R1.3425 Cc1ncc(s1)COC(C)C(=O)O 7faced0ad350b678685c915133a8b467 [0,1,0,0,0,1|2,0,0]=4 572 B13R1.3425 Cc1ncc(s1)CO[C@@H](C)C(=O)O 26296c2f10fb58fc15f64c81cc1adcce [0,1,0,0,0,1|2,0,0]=4 573 B13R1.3425 Cc1ncc(s1)CO[C@H](C)C(=O)O 0d780fe2bc5dcdca4cc05cc40df8db8b [0,1,0,0,0,1|2,0,0]=4 574 B13R1.3425 Cc1ncc(s1)NCC(C)C(=O)O cf98f1a5de469ec5f63fa58fc81544cb [0,1,0,0,0,1|2,0,0]=4 575 B13R1.3425 Cc1ncc(s1)NCC(F)C(=O)O 3eb518db6e513ec889d4cd60acbe8ef6 [0,1,0,0,0,1|2,0,0]=4 576 B13R1.3425 Cc1ncc(s1)NCC(O)C(=O)O a32896ddd2a5a0f534acd52d0b021c22 [0,1,0,0,0,1|2,0,0]=4 577 B13R1.3425 Cc1ncc(s1)NC[C@@H](C)C(=O)O b465563738dafe1820a070f151ed17ed [0,1,0,0,0,1|2,0,0]=4 578 B13R1.3425 Cc1ncc(s1)NC[C@@H](O)C(=O)O 38c86c5f6aa28b765a37da052af18990 [0,1,0,0,0,1|2,0,0]=4 579 B13R1.3425 Cc1ncc(s1)NC[C@H](C)C(=O)O f3a6eda509ba348f4aa0a73607321371 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.3425 Cc1ncc(s1)NC[C@H](O)C(=O)O 8287fbfe4ef0e701768bcdd1cd380926 [0,1,0,0,0,1|2,0,0]=4 581 B13R1.3425 O=C(O)C(F)NCc1cc(c[nH]1)Br 567fe7d423c739b5beb570166608333f [0,1,0,0,0,1|2,0,0]=4 582 B13R1.3425 O=C(O)C(O)CNc1cnc(s1)Br 568f6a5350907ae4bbacc3a16afaf59b [0,1,0,0,0,1|2,0,0]=4 583 B13R1.3425 O=C(O)C(O)NCc1cnc(s1)Br 20b6efe6a148eae830033f721a39a5a4 [0,1,0,0,0,1|2,0,0]=4 584 B13R1.3425 O=C(O)C(O)NCc1cnc(s1)Cl 7bb675216489a9f26ab248aacb07e15e [0,1,0,0,0,1|2,0,0]=4 585 B13R1.3425 O=C(O)[C@@H](O)CNc1cnc(s1)Br 1e0b997d95e8264867751fc0afebe417 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.704 CN(Cc1cncn1C)C(=O)CO 09b84bf681e94dad41db925024ef496a [0,2,0,0,0,0|2,0,0]=4 587 B13R1.704 COC(=O)C(C)Nc1cncn1C 07590e647744af59a829150915f7f7db [0,2,0,0,0,0|2,0,0]=4 588 B13R1.704 COC(=O)[C@@H](C)Nc1cncn1C 31864e4b15e271eb1a726fab1c5a6971 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.704 COC(=O)[C@H](C)Nc1cncn1C 52b9ecf3f5a0ed6082c0c462e63c1c49 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.695 CCNC(Cc1ccc[nH]1)C(=O)O 2fbdebdf8e0c4729aaeb3af4fdb93889 [0,2,0,0,0,0|1,0,0]=3 591 B13R1.695 CCNC(Cc1ccco1)C(=O)O 62d63aac04f9bfed920e9ee93e0dfc00 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.695 CCNC(Cc1cccs1)C(=O)O a372dbc2c5b2980e1ec41d6c9cb88a31 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.695 CCNC(Cc1ccsc1)C(=O)O cc504b30dbfa12fcab073082df6ed05c [0,2,0,0,0,0|2,0,0]=4 594 B13R1.695 CCNC(Cc1cnc[nH]1)C(=O)O 22611615d5746fd2182750aa3220d630 [0,2,0,0,0,0|0,0,0]=2 595 B13R1.695 CCNC(Cc1cscn1)C(=O)O be2efb60008e74cfb0b8be207549b9c1 [0,2,0,0,0,0|1,0,1]=4 596 B13R1.695 CCNC(Cn1cncn1)C(=O)O 7e212e71855a2ef83fc21ebbccf8f045 [0,2,0,0,0,0|1,0,1]=4 597 B13R1.695 CCN[C@@H](Cc1c[nH]cn1)C(=O)O 77dfb27e41b4d677c1755b4ab92c9052 [0,2,0,0,0,0|0,0,2]=4 598 B13R1.695 CCN[C@@H](Cc1ccco1)C(=O)O 378082772c5f20aed8afddcc0bac56d6 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.695 CCN[C@@H](Cc1cccs1)C(=O)O 19640eb686922c5fce08ad1862c432cc [0,2,0,0,0,0|2,0,0]=4 600 B13R1.695 CCN[C@@H](Cc1ccsc1)C(=O)O 609e5d08be4a56e8593e4dfe5f33bbc7 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.695 CCN[C@@H](Cc1cncs1)C(=O)O 055ec66843522d9ebab69777a8e9b8e6 [0,2,0,0,0,0|1,0,0]=3 602 B13R1.695 CCN[C@@H](Cc1cscn1)C(=O)O 04249195fb7f7814a680bdbe0feafb41 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.695 CCN[C@H](Cc1c[nH]cn1)C(=O)O 6cf33e08aebf865dab966389fd5deb65 [0,2,0,0,0,0|0,0,2]=4 604 B13R1.695 CCN[C@H](Cc1ccco1)C(=O)O 2021a837fdaf9750aa398062312f21f9 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.695 CCN[C@H](Cc1cccs1)C(=O)O 3d62e6f36ea915562ee467270ba3408d [0,2,0,0,0,0|2,0,0]=4 606 B13R1.695 CCN[C@H](Cc1ccsc1)C(=O)O c537e41a98f53b64a3358ea82ee83fff [0,2,0,0,0,0|2,0,0]=4 607 B13R1.695 CCN[C@H](Cc1cscn1)C(=O)O 93bbb89a973c77cb4b0ecd8d3e95c805 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.695 O=C(O)C(Cc1ccc[nH]1)NCF 4ca6107fd959849d929b88e563f0cf16 [0,2,0,0,0,0|1,0,0]=3 609 B13R1.695 O=C(O)C(Cc1ccc[nH]1)NCO 0213cc7ea677e809f0aa11752e0fa26f [0,2,0,0,0,0|1,0,0]=3 610 B13R1.695 O=C(O)C(Cc1ccco1)NCF 85c581fe84de3311493b43dde149c475 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.695 O=C(O)C(Cc1ccco1)NCO a079cdaf8fa7fa33804e75af770f56f7 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.695 O=C(O)C(Cc1cccs1)NCF 5061c2b312d4ecf2d80c9f1f8febb4a4 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.695 O=C(O)C(Cc1cccs1)NCO 4dd4719b907d95e74ccb01bd945152b6 [0,2,0,0,0,0|2,0,0]=4 614 B13R1.695 O=C(O)C(Cc1ccsc1)NCF 65edec9d14b8bdad9dfa10b19dc4ecfe [0,2,0,0,0,0|2,0,0]=4 615 B13R1.695 O=C(O)C(Cc1ccsc1)NCO 54a3ed771629aec564203e419f87caaa [0,2,0,0,0,0|2,0,0]=4 616 B13R1.695 O=C(O)C(Cc1cnc[nH]1)NCF a25b7f52d0a74db08718bb1be13fd739 [0,2,0,0,0,0|0,0,0]=2 617 B13R1.695 O=C(O)C(Cc1cnc[nH]1)NCO 2a4626ea9bf31de6255d96991a7fee89 [0,2,0,0,0,0|0,0,0]=2 618 B13R1.695 O=C(O)C(Cc1cscn1)NCF 1c68b3be4442df2b908f35d295881d70 [0,2,0,0,0,0|1,0,1]=4 619 B13R1.695 O=C(O)C(Cc1cscn1)NCO f5b75a57417e4506ce07616973976f29 [0,2,0,0,0,0|1,0,1]=4 620 B13R1.695 O=C(O)C(Cn1cncn1)NCF 98a0d87a14b3ae57a7951ea61493e7bd [0,2,0,0,0,0|1,0,1]=4 621 B13R1.695 O=C(O)C(Cn1cncn1)NCO 905a520959f4dac60fe1b89c9b11cb95 [0,2,0,0,0,0|1,0,1]=4 622 B13R1.695 O=C(O)[C@@H](Cc1c[nH]cn1)NCF 286aa1fcb21e9715b6d941b74651a560 [0,2,0,0,0,0|0,0,2]=4 623 B13R1.695 O=C(O)[C@@H](Cc1c[nH]cn1)NCO d5c61d9610070c9c1ed803e463750538 [0,2,0,0,0,0|0,0,2]=4 624 B13R1.695 O=C(O)[C@@H](Cc1ccco1)NCF 81fc558d8e7393e1ea83dc114198e4d4 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.695 O=C(O)[C@@H](Cc1ccco1)NCO 86ad0d3926afb8c91d9a218e13572664 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.695 O=C(O)[C@@H](Cc1cccs1)NCF b6aea95a69d00e0dfc633a90a1ded589 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.695 O=C(O)[C@@H](Cc1cccs1)NCO 466ea3d58443517b814c47d715e39bf0 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.695 O=C(O)[C@@H](Cc1ccsc1)NCF 7a48ebcaed4faff901cd4a36f15bfa8a [0,2,0,0,0,0|2,0,0]=4 629 B13R1.695 O=C(O)[C@@H](Cc1ccsc1)NCO 2a320fbdf9e5a2f41b41d9aa4e0945b4 [0,2,0,0,0,0|2,0,0]=4 630 B13R1.695 O=C(O)[C@@H](Cc1cscn1)NCF ad38b1c6a9b006bbcf5b5dfef09bbb64 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.695 O=C(O)[C@@H](Cc1cscn1)NCO 9afaddaad6f3013613777b838aa472c1 [0,2,0,0,0,0|1,0,1]=4 632 B13R1.695 O=C(O)[C@H](Cc1c[nH]cn1)NCF de738788b6be2d915e9f1dc4f9453d1c [0,2,0,0,0,0|0,0,2]=4 633 B13R1.695 O=C(O)[C@H](Cc1c[nH]cn1)NCO 6cfe9a3c637ccb49907cceb59b41cce7 [0,2,0,0,0,0|0,0,2]=4 634 B13R1.695 O=C(O)[C@H](Cc1ccco1)NCF 897682452a5b277c9dd7ea4a5aa6bf73 [0,2,0,0,0,0|2,0,0]=4 635 B13R1.695 O=C(O)[C@H](Cc1ccco1)NCO 2e63b2bd352022137966eebd0ad135e6 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.695 O=C(O)[C@H](Cc1cccs1)NCF 520850bdeea0daa7e9b8791b399b64c8 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.695 O=C(O)[C@H](Cc1cccs1)NCO c4a80311c72de626cd826757f59f9938 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.695 O=C(O)[C@H](Cc1ccsc1)NCF c3f44cd58cea8775a0051527e1cb96cb [0,2,0,0,0,0|2,0,0]=4 639 B13R1.695 O=C(O)[C@H](Cc1ccsc1)NCO 04c19b2b122932d9bc927ff902e00e6f [0,2,0,0,0,0|2,0,0]=4 640 B13R1.695 O=C(O)[C@H](Cc1cncs1)NCF 00e14c6ff40242a6282abcc99b8d1cd7 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.695 O=C(O)[C@H](Cc1cncs1)NCO a88140feada181c116a28caf640741af [0,2,0,0,0,0|1,0,0]=3 642 B13R1.695 O=C(O)[C@H](Cc1cscn1)NCF 1b307edee82c9b3f414799960903a5d9 [0,2,0,0,0,0|1,0,1]=4 643 B13R1.695 O=C(O)[C@H](Cc1cscn1)NCO 5545f4e55527463ab864c91df806784c [0,2,0,0,0,0|1,0,1]=4 644 B13R2.158 O=C1CCC1OCc2cnc[nH]2 ad0fcab504a726a67b4f6620affbfaf8 [0,0,0,1,0,1|2,0,0]=4 645 B13R2.158 O=C1NC[C@@H]1NCc2cnc[nH]2 b5d8d23e3cc253b7a685ec8423f8c2da [0,0,0,1,0,1|2,0,0]=4 646 B13R2.158 O=C1OCC1CNc2cncs2 170b0a7fa4a9f70642260ab3e84a68d7 [0,0,0,1,0,1|2,0,0]=4 647 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [1,0,0,0,0,1|2,0,0]=4 648 B11R1.91 O=C(O)CNc1ccncc1 d2ec8efae842007114d587a1ec71d62f [1,0,0,0,0,1|2,0,0]=4 649 B11R1.91 O=C(O)CNc1ccncn1 5a4b1659c5de5be20531a3f783e4b5de [1,0,0,0,0,1|1,0,1]=4 650 B11R1.91 O=C(O)CNc1ccnnc1 c99b746e992a4e9e6f7e039e52c1a5ec [1,0,0,0,0,1|2,0,0]=4 651 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [1,0,0,0,0,1|1,0,1]=4 652 B11R1.91 O=C(O)CNc1cncnc1 c77aa544ab79efbf2bcf36fb4eef07df [1,0,0,0,0,1|1,0,1]=4 653 B11R1.91 O=C(O)CNc1cnncn1 656f91866ba89d759783ad01285d9323 [1,0,0,0,0,1|1,0,1]=4 654 B11R1.91 O=C(O)CNc1ncncn1 c8e30a9039355bdb4c7c01c4e4c31d42 [1,0,0,0,0,1|1,0,1]=4 655 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [1,0,0,0,0,1|2,0,0]=4 656 B11R1.91 O=C(O)COc1ccncc1 b0acb3702ddf8b44733ab3e3ff47483a [1,0,0,0,0,1|2,0,0]=4 657 B11R1.91 O=C(O)COc1ccnnc1 1b95f97209e3f2855770ca42cf783b1d [1,0,0,0,0,1|2,0,0]=4 658 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [1,0,0,0,0,1|1,0,1]=4 659 B11R1.91 O=C(O)COc1cncnc1 be0d64e31690cc63b2fb9036513a8b31 [1,0,0,0,0,1|1,0,1]=4 660 B11R1.91 O=C(O)COc1cncnn1 f7236ae5d9b791665330b19e8512ec40 [1,0,0,0,0,1|1,0,1]=4 661 B11R1.172 C=C(Br)CNCc1cnc[nH]1 74fd788edf2a51f5423be025557718a5 [1,0,0,0,0,1|2,0,0]=4 662 B11R1.172 C=C(Br)COCc1cnc[nH]1 5c8d20c1e864c6125f05131db157014b [1,0,0,0,0,1|2,0,0]=4 663 B11R1.172 C=C(C)CNCc1cnc[nH]1 3281306341487d652ad9c25d6b9d2c6b [1,0,0,0,0,1|2,0,0]=4 664 B11R1.172 C=C(C)COCc1cnc[nH]1 2dba80a2d226720a1593756bad1c9ab3 [1,0,0,0,0,1|2,0,0]=4 665 B11R1.172 C=C(Cl)COCc1cnc[nH]1 7fa6a58490748485fb00940a2b9394d7 [1,0,0,0,0,1|2,0,0]=4 666 B11R1.172 C=C(F)COCc1cnc[nH]1 02abcc2afaf8f306e01a1f19ba45aa13 [1,0,0,0,0,1|2,0,0]=4 667 B11R1.172 C=C(I)COCc1cnc[nH]1 a25095702850f1116c56307d3a19634d [1,0,0,0,0,1|2,0,0]=4 668 B11R1.172 CC(=O)CCNc1cncs1 bce7d96e9d22cce9e72ec22be1ef03a0 [1,0,0,0,0,1|2,0,0]=4 669 B11R1.172 CC(=O)CNCc1cnc[nH]1 7961c596f66c2db5f4c710df2da78fd9 [1,0,0,0,0,1|1,0,0]=3 670 B11R1.172 CC(=O)CNCc1cnco1 99f78d679b27a44216bef491e144dcce [1,0,0,0,0,1|2,0,0]=4 671 B11R1.172 CC(=O)COCc1cnc[nH]1 8cf8a4d7b712ee5ea9cd56a3720c3ebf [1,0,0,0,0,1|1,0,0]=3 672 B11R1.172 CC(O)CNCc1cnc[nH]1 f22ee9d6ad3bae7d570c8e1c8dc40de3 [1,0,0,0,0,1|1,0,1]=4 673 B11R1.172 C[C@@H](O)CNCc1cnc[nH]1 d25efe4e3b89b4c76358e0b63a45f106 [1,0,0,0,0,1|1,0,1]=4 674 B11R1.172 C[C@H](O)CNCc1cnc[nH]1 f6149e109039737126a2b3c4f9ba9c8c [1,0,0,0,0,1|1,0,1]=4 675 B11R1.172 NC(=O)CCNc1cncs1 cf1ac68a0afa68d08598eff58b52a383 [1,0,0,0,0,1|2,0,0]=4 676 B11R1.172 NC(=O)CNCc1ccc[nH]1 4d885322b19f56ef9a7adef5ac07e13a [1,0,0,0,0,1|2,0,0]=4 677 B11R1.172 NC(=O)CNCc1cnc[nH]1 48ebb8d4ccef50f5fbcb5149ea1678c8 [1,0,0,0,0,1|1,0,0]=3 678 B11R1.172 NC(=O)CNCc1cnco1 79b996ea014dc992e10e1bffe38c4d1b [1,0,0,0,0,1|2,0,0]=4 679 B11R1.172 NC(=O)CNCc1cncs1 0df549936f45bdf50675630446650edc [1,0,0,0,0,1|2,0,0]=4 680 B11R1.172 NC(=O)COCc1ccc[nH]1 b6e75ef9e7be437d4d16b0504d02f6b9 [1,0,0,0,0,1|2,0,0]=4 681 B11R1.172 NC(=O)COCc1cnc[nH]1 cd69702e779d05191239ab55fe479ed9 [1,0,0,0,0,1|1,0,0]=3 682 B11R1.172 NC(=O)COCc1cnco1 a85d625518924ef7da0254fd9f9fcb67 [1,0,0,0,0,1|2,0,0]=4 683 B11R1.172 NC(=O)COCc1cncs1 ea444cb5c527fa97fe1d8b99991e0c04 [1,0,0,0,0,1|2,0,0]=4 684 B11R1.172 NC(=O)COCc1cnn[nH]1 b27465669760a3946bea1113d7947869 [1,0,0,0,0,1|2,0,0]=4 685 B11R1.172 NC(=S)COCc1cnc[nH]1 02ffeb6a93e3245f553cf9b2dd132270 [1,0,0,0,0,1|1,1,0]=4 686 B11R1.172 O=C(O)CCNc1c[nH]cn1 50eb713893be35a09e34f1767ca949af [1,0,0,0,0,1|0,0,2]=4 687 B11R1.172 O=C(O)CCNc1cccs1 ce94cb2d46b17a86ed1a73ac7890105f [1,0,0,0,0,1|2,0,0]=4 688 B11R1.172 O=C(O)CCNc1ccno1 d4b6c1aacfe5e557161f479edb046e0e [1,0,0,0,0,1|2,0,0]=4 689 B11R1.172 O=C(O)CCNc1ccns1 75a59384acd40e92bf9370be24345681 [1,0,0,0,0,1|2,0,0]=4 690 B11R1.172 O=C(O)CCNc1ccoc1 4411d087719fc4942c24c38bf749d3eb [1,0,0,0,0,1|2,0,0]=4 691 B11R1.172 O=C(O)CCNc1ccsc1 32ebfb871c07e2b5b1de018d766ef835 [1,0,0,0,0,1|2,0,0]=4 692 B11R1.172 O=C(O)CCNc1cn[nH]c1 d53f04e07ec4ed3c16a9f4439f293a75 [1,0,0,0,0,1|2,0,0]=4 693 B11R1.172 O=C(O)CCNc1cncs1 9bcabddedbb8458b3eba95eac48c0b48 [1,0,0,0,0,1|1,0,0]=3 694 B11R1.172 O=C(O)CCNc1cnoc1 33ce25a24ae3f9cd73bd1467794c893e [1,0,0,0,0,1|2,0,0]=4 695 B11R1.172 O=C(O)CCNc1cnon1 045dce2e878194829e8bfc51c84f01f0 [1,0,0,0,0,1|1,0,1]=4 696 B11R1.172 O=C(O)CCNc1cnsc1 afe483afb62ea88d3ccdd011e2726fea [1,0,0,0,0,1|2,0,0]=4 697 B11R1.172 O=C(O)CCNc1cnsn1 513208fcb89a3c458ebe5c75a93d76c4 [1,0,0,0,0,1|1,0,1]=4 698 B11R1.172 O=C(O)CCNc1cocn1 3b949f48cca00da2cb46c4f3db3c609a [1,0,0,0,0,1|1,0,1]=4 699 B11R1.172 O=C(O)CCNc1cscn1 c1f042d73c163747890fb34c04fb3827 [1,0,0,0,0,1|1,0,1]=4 700 B11R1.172 O=C(O)CCNc1ncns1 d76557c84a98217e7b875e9e5e4b630e [1,0,0,0,0,1|1,0,1]=4 701 B11R1.172 O=C(O)CCNc1nncs1 b1446dbb1e1412c0497ec44d8ed9f843 [1,0,0,0,0,1|2,0,0]=4 702 B11R1.172 O=C(O)CCOc1c[nH]cn1 a647bcea462f771f4eb3530c5c3f7b39 [1,0,0,0,0,1|0,0,2]=4 703 B11R1.172 O=C(O)CCOc1ccco1 21b91de83358b466cc7a22fde4a1f9b0 [1,0,0,0,0,1|2,0,0]=4 704 B11R1.172 O=C(O)CCOc1ccn[nH]1 264a35d1d9b4bfbec93c954f4965dcdc [1,0,0,0,0,1|2,0,0]=4 705 B11R1.172 O=C(O)CCOc1cn[nH]c1 8e4b6c737b77f860f02c3d48637822f6 [1,0,0,0,0,1|2,0,0]=4 706 B11R1.172 O=C(O)CCOc1cnoc1 518b488a0c65d7fb295e4974d2d7d494 [1,0,0,0,0,1|2,0,0]=4 707 B11R1.172 O=C(O)CCOn1ccnc1 c700da65a6e90a1c09f4455b14d0c22c [1,0,0,0,0,1|2,0,0]=4 708 B11R1.172 O=C(O)CNCc1cc[nH]c1 ad1545a2535c92a94cb4b770bdc582e2 [1,0,0,0,0,1|1,0,1]=4 709 B11R1.172 O=C(O)CNCc1ccc[nH]1 3d138a920c9fb2680fe73ae1ec866070 [1,0,0,0,0,1|1,0,0]=3 710 B11R1.172 O=C(O)CNCc1ccco1 4503a4764d3abcbc8a5487f0f255e772 [1,0,0,0,0,1|2,0,0]=4 711 B11R1.172 O=C(O)CNCc1cccs1 6589353daf6c6878fe13fe1bd5a05a32 [1,0,0,0,0,1|2,0,0]=4 712 B11R1.172 O=C(O)CNCc1ccn[nH]1 c863a1dba7828ddf822351fe91e22eb9 [1,0,0,0,0,1|2,0,0]=4 713 B11R1.172 O=C(O)CNCc1ccno1 419f64ab65b7ba14cc8176532520daa1 [1,0,0,0,0,1|2,0,0]=4 714 B11R1.172 O=C(O)CNCc1ccns1 07842c437beb61a0ea93508c03ff6af7 [1,0,0,0,0,1|2,0,0]=4 715 B11R1.172 O=C(O)CNCc1ccoc1 438cf3c33f55945b82713de9b13aa6fc [1,0,0,0,0,1|2,0,0]=4 716 B11R1.172 O=C(O)CNCc1ccsc1 dff5b88c0ad76084e686cd0c8eb30456 [1,0,0,0,0,1|2,0,0]=4 717 B11R1.172 O=C(O)CNCc1cn[nH]c1 b27cb661408c4e5f7d6705944ed49248 [1,0,0,0,0,1|2,0,0]=4 718 B11R1.172 O=C(O)CNCc1cnc[nH]1 cdc9ec7a3320fc086bd5ff255bde1d62 [1,0,0,0,0,1|0,0,0]=2 719 B11R1.172 O=C(O)CNCc1cnco1 c69761e627827a8043deb8e0d16d89e2 [1,0,0,0,0,1|1,0,0]=3 720 B11R1.172 O=C(O)CNCc1cncs1 b10e0962211288134116e2bb9ad56cb1 [1,0,0,0,0,1|1,0,0]=3 721 B11R1.172 O=C(O)CNCc1cnoc1 a29134eb7f691c30d3d4b60dfebf4883 [1,0,0,0,0,1|2,0,0]=4 722 B11R1.172 O=C(O)CNCc1cnsc1 2c1dec8e6001c1cfe4db32fbbfd16e4e [1,0,0,0,0,1|2,0,0]=4 723 B11R1.172 O=C(O)CNCc1cocn1 9dd0f56cb9645473bd88a4714a65c285 [1,0,0,0,0,1|1,0,1]=4 724 B11R1.172 O=C(O)CNCc1cscn1 ab0953006c5e0edb33635d07ef299b35 [1,0,0,0,0,1|1,0,1]=4 725 B11R1.172 O=C(O)CNCc1ncc[nH]1 f821f923489be06a2bea63b6691033d8 [1,0,0,0,0,1|2,0,0]=4 726 B11R1.172 O=C(O)CNCc1nnco1 e4201944c932fdf9034723e9216b2a4c [1,0,0,0,0,1|2,0,0]=4 727 B11R1.172 O=C(O)CNCc1nnn[nH]1 08963c3b55cf16dc5e4e2d5d0a322b06 [1,0,0,0,0,1|2,0,0]=4 728 B11R1.172 O=C(O)CNCn1cncn1 ff79857f4285014c081722bd55c7457e [1,0,0,0,0,1|1,0,1]=4 729 B11R1.172 O=C(O)COCc1cc[nH]c1 0000d8dd863a04d7f4797db125a9bade [1,0,0,0,0,1|1,0,1]=4 730 B11R1.172 O=C(O)COCc1ccc[nH]1 1e43b9635f5a6de6df4ac7f9f5040b2a [1,0,0,0,0,1|1,0,0]=3 731 B11R1.172 O=C(O)COCc1ccco1 86ba59a113605253dd8262c236f0c2b8 [1,0,0,0,0,1|2,0,0]=4 732 B11R1.172 O=C(O)COCc1cccs1 956edf8e319dd4bdec98a4daef429110 [1,0,0,0,0,1|2,0,0]=4 733 B11R1.172 O=C(O)COCc1ccn[nH]1 5f0fef531952241b9e474615a9f528cf [1,0,0,0,0,1|2,0,0]=4 734 B11R1.172 O=C(O)COCc1ccno1 92e9977c89b9e5d06471307043a1a583 [1,0,0,0,0,1|2,0,0]=4 735 B11R1.172 O=C(O)COCc1ccns1 fe333376cd3c8d1264ba25ac34d63c66 [1,0,0,0,0,1|2,0,0]=4 736 B11R1.172 O=C(O)COCc1ccsc1 7f5f261218aa0861585e6ab4d63555d6 [1,0,0,0,0,1|2,0,0]=4 737 B11R1.172 O=C(O)COCc1cn[nH]c1 e295b416c551901a411118d032b342ca [1,0,0,0,0,1|2,0,0]=4 738 B11R1.172 O=C(O)COCc1cnc[nH]1 fe7086271119c575e10e59fd8a7ab1e9 [1,0,0,0,0,1|0,0,0]=2 739 B11R1.172 O=C(O)COCc1cnco1 ea1da8ce0a76f478c90c89d9c8a90ab0 [1,0,0,0,0,1|1,0,0]=3 740 B11R1.172 O=C(O)COCc1cnn[nH]1 67e7a90364d07bc7d302eb6ff6271c94 [1,0,0,0,0,1|1,0,0]=3 741 B11R1.172 O=C(O)COCc1cnoc1 ab97358c5fa99489dcc89f03df2244b6 [1,0,0,0,0,1|2,0,0]=4 742 B11R1.172 O=C(O)COCc1cnsc1 6fa716d8c16ae1d1257d1e6497423de0 [1,0,0,0,0,1|2,0,0]=4 743 B11R1.172 O=C(O)COCc1cnsn1 e1d4542e1f77a30d8f18a8bb2824d728 [1,0,0,0,0,1|1,0,1]=4 744 B11R1.172 O=C(O)COCc1cocn1 f93d278a2fe950df72a6211245f5f818 [1,0,0,0,0,1|1,0,1]=4 745 B11R1.172 O=C(O)COCc1cscn1 fdc5bd1c51080fa79e5195e10498857b [1,0,0,0,0,1|1,0,1]=4 746 B11R1.172 O=C(O)COCc1ncc[nH]1 a21d21d2075106628e8194398a557b79 [1,0,0,0,0,1|2,0,0]=4 747 B11R1.172 O=C(O)COCc1ncno1 1bb7fa03276eb1e75e38c09246a25307 [1,0,0,0,0,1|1,0,1]=4 748 B11R1.172 O=C(O)COCc1ncns1 a4347ca24b72fb9a2746c10d7c5affd2 [1,0,0,0,0,1|1,0,1]=4 749 B11R1.172 O=C(O)COCc1nnco1 0d6d25bab6998b80d2efd2d725766c44 [1,0,0,0,0,1|2,0,0]=4 750 B11R1.172 O=C(O)COCn1ccnc1 bef244b250aa0d8fe50a972aed9903bf [1,0,0,0,0,1|2,0,0]=4 751 B11R1.172 O=C(O)COCn1cncn1 b5d432fb0c8f31eab9eeaadf232abef2 [1,0,0,0,0,1|1,0,1]=4 752 B11R1.172 O=S(O)CCNc1cncs1 90df3be3ee505e473db31798c11d3da4 [1,0,0,0,0,1|2,0,0]=4 753 B11R1.172 O=S(O)COCc1cnc[nH]1 feafbc82b63ac3315c7e88caa9f55d48 [1,0,0,0,0,1|1,0,0]=3 754 B11R1.172 O=[N+]([O-])COCc1cnc[nH]1 4a09082083e185b8f410e9755df31a84 [1,0,0,0,0,1|1,0,1]=4 755 B13R1.351 CC(CNc1cccnc1)C(=O)O 85f69daa408a935705fddfb5fbe50f42 [0,0,0,0,0,2|2,0,0]=4 756 B13R1.351 CC(CNc1ccncc1)C(=O)O fe334260f95a520e09513a7cb6c82db5 [0,0,0,0,0,2|2,0,0]=4 757 B13R1.351 CC(CNc1ccncn1)C(=O)O 353a26a0aa5974b0fd405ed22814c078 [0,0,0,0,0,2|1,0,1]=4 758 B13R1.351 CC(CNc1ccnnc1)C(=O)O 62dc52c5a3c38fe5bc869d3d653b139a [0,0,0,0,0,2|2,0,0]=4 759 B13R1.351 CC(CNc1cnccn1)C(=O)O c2e8f3436729e5293915bb034677e629 [0,0,0,0,0,2|1,0,1]=4 760 B13R1.351 CC(CNc1cncnc1)C(=O)O ba2bfdb9824ba0a0e6c30c311fdc3710 [0,0,0,0,0,2|1,0,1]=4 761 B13R1.351 CC(CNc1cnncn1)C(=O)O 470d5c160ecc60772807f6c3c4d32eb5 [0,0,0,0,0,2|1,0,1]=4 762 B13R1.351 CC(CNc1ncncn1)C(=O)O 0dc958e9ce3604f2f1b56376273db603 [0,0,0,0,0,2|1,0,1]=4 763 B13R1.351 CC(COc1cccnc1)C(=O)O 7ec9ca913b9f5f44e40844f7fa21b6ff [0,0,0,0,0,2|2,0,0]=4 764 B13R1.351 CC(COc1ccncc1)C(=O)O 23b0fc1e124536f5f93b813d4abcdaf3 [0,0,0,0,0,2|2,0,0]=4 765 B13R1.351 CC(COc1ccnnc1)C(=O)O ca3c968a1d5a9996fbae0e3c6a26d7cc [0,0,0,0,0,2|2,0,0]=4 766 B13R1.351 CC(COc1cnccn1)C(=O)O 32d0e824d902102b96976120f09403fd [0,0,0,0,0,2|1,0,1]=4 767 B13R1.351 CC(COc1cncnc1)C(=O)O 6b981104a7a48cd270f25386cad1773e [0,0,0,0,0,2|1,0,1]=4 768 B13R1.351 CC(COc1cncnn1)C(=O)O 75b8f5bd2f6a81fdd63245e6efc215ec [0,0,0,0,0,2|1,0,1]=4 769 B13R1.351 CC(NCc1cccnc1)C(=O)O b7b7361361308a38b190e38e140d3fa0 [0,0,0,0,0,2|2,0,0]=4 770 B13R1.351 CC(NCc1ccncc1)C(=O)O 18e1ab91c8409334cd4314e3d0564da3 [0,0,0,0,0,2|2,0,0]=4 771 B13R1.351 CC(NCc1ccncn1)C(=O)O 12531131dcb84fadb5ed77d387c4fb33 [0,0,0,0,0,2|1,0,1]=4 772 B13R1.351 CC(NCc1ccnnc1)C(=O)O bee9d56f708411d04fea1a638a56348e [0,0,0,0,0,2|2,0,0]=4 773 B13R1.351 CC(NCc1cnccn1)C(=O)O a1a323758a4ae0ab2eb9f58ea8ae02de [0,0,0,0,0,2|1,0,1]=4 774 B13R1.351 CC(NCc1cncnc1)C(=O)O a6cd5dacdef3ba201936d90977ccf6a5 [0,0,0,0,0,2|1,0,1]=4 775 B13R1.351 CC(OCc1cccnc1)C(=O)O 9d505932b3b2d871262169b53e25f020 [0,0,0,0,0,2|2,0,0]=4 776 B13R1.351 CC(OCc1ccncn1)C(=O)O 54f06efc68bb3d261c8868c23314216a [0,0,0,0,0,2|1,0,1]=4 777 B13R1.351 CC(OCc1cncnc1)C(=O)O d7c8441aec6a5f166ebc2a1adde56838 [0,0,0,0,0,2|1,0,1]=4 778 B13R1.351 C[C@@H](CNc1cccnc1)C(=O)O 04269232e67050f89a23f6ad3820e08b [0,0,0,0,0,2|2,0,0]=4 779 B13R1.351 C[C@@H](CNc1ccncc1)C(=O)O e2067df96ba54cc847aaffa263a75ea4 [0,0,0,0,0,2|2,0,0]=4 780 B13R1.351 C[C@@H](CNc1ccncn1)C(=O)O 216b0d7f33c10b1fa96637bf0b8da0b2 [0,0,0,0,0,2|1,0,1]=4 781 B13R1.351 C[C@@H](NCc1cccnc1)C(=O)O 304875a1baaa183e0fd6c05df5b09b8b [0,0,0,0,0,2|2,0,0]=4 782 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)O e4f41cab3a6be781e15b9ccca1c9e581 [0,0,0,0,0,2|2,0,0]=4 783 B13R1.351 C[C@@H](NCc1ccncn1)C(=O)O 1c5983a58eabdc25b51bf9a3b9106f61 [0,0,0,0,0,2|1,0,1]=4 784 B13R1.351 C[C@@H](NCc1ccnnc1)C(=O)O 9fc8e6524851d4cbcb22ad1742cd43d2 [0,0,0,0,0,2|2,0,0]=4 785 B13R1.351 C[C@@H](NCc1cnccn1)C(=O)O d27ea1cae6fe43099dbd80eeb2b98097 [0,0,0,0,0,2|1,0,1]=4 786 B13R1.351 C[C@@H](NCc1cncnc1)C(=O)O 3a03e3d8299655bbce8e613588f4cbc9 [0,0,0,0,0,2|1,0,1]=4 787 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)O 42906cd564e11dd8c3d404465b146752 [0,0,0,0,0,2|2,0,0]=4 788 B13R1.351 C[C@@H](OCc1ccncn1)C(=O)O 5ac495e370a38545c0baa3b89f54bac9 [0,0,0,0,0,2|1,0,1]=4 789 B13R1.351 C[C@@H](OCc1cncnc1)C(=O)O 55cbe0977671fe42812879e12dfee57e [0,0,0,0,0,2|1,0,1]=4 790 B13R1.351 C[C@H](CNc1cccnc1)C(=O)O ae0e9408445682ee25248feb56d1ac8b [0,0,0,0,0,2|2,0,0]=4 791 B13R1.351 C[C@H](CNc1ccncc1)C(=O)O 36ebff202d784fc7c7be2ea25ff5add8 [0,0,0,0,0,2|2,0,0]=4 792 B13R1.351 C[C@H](CNc1ccncn1)C(=O)O 7e945338996aa8dd373bae1efc06dc14 [0,0,0,0,0,2|1,0,1]=4 793 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 1e8160e4d84e3aebc875bbbc0222d1ae [0,0,0,0,0,2|2,0,0]=4 794 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 355735838da28f30205f17acff6dc202 [0,0,0,0,0,2|2,0,0]=4 795 B13R1.351 C[C@H](NCc1ccncn1)C(=O)O 6efd2adc92c7f0a5846ad77b61888e02 [0,0,0,0,0,2|1,0,1]=4 796 B13R1.351 C[C@H](NCc1ccnnc1)C(=O)O b3efa141951d2cc46d7bc9dfe3893e31 [0,0,0,0,0,2|2,0,0]=4 797 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O d0ecc96d20e9a9f8a94c51b4923288ed [0,0,0,0,0,2|1,0,1]=4 798 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O eb3e5915b9e5954047ea1606dcb01c46 [0,0,0,0,0,2|1,0,1]=4 799 B13R1.351 C[C@H](OCc1cccnc1)C(=O)O 1f7943fcac278f0ae7a44aa0d61be10b [0,0,0,0,0,2|2,0,0]=4 800 B13R1.351 C[C@H](OCc1ccncn1)C(=O)O 55cf43c40a5a0abc3969ba8444d702c6 [0,0,0,0,0,2|1,0,1]=4 801 B13R1.351 C[C@H](OCc1cncnc1)C(=O)O 325251e81c094950fdbb1ae1837c6dd5 [0,0,0,0,0,2|1,0,1]=4 802 B13R1.351 O=C(O)C(F)CNc1cccnc1 d8a999e5c627383b9d5a7bb856cb78e8 [0,0,0,0,0,2|2,0,0]=4 803 B13R1.351 O=C(O)C(F)CNc1ccncn1 ad9058bb2f962946a0d006da4684018b [0,0,0,0,0,2|1,0,1]=4 804 B13R1.351 O=C(O)C(F)CNc1cnccn1 4fa63b662f13450d0fa47446e40a7282 [0,0,0,0,0,2|1,0,1]=4 805 B13R1.351 O=C(O)C(F)NCc1cccnc1 6eea2a8fb6f06a9dd7a4f1251d84ca86 [0,0,0,0,0,2|2,0,0]=4 806 B13R1.351 O=C(O)C(F)NCc1ccncc1 92bc7fc93f470bdb408a329c4d98a422 [0,0,0,0,0,2|2,0,0]=4 807 B13R1.351 O=C(O)C(F)NCc1ccnnc1 aed566dd7728a265ce4edd190101f096 [0,0,0,0,0,2|2,0,0]=4 808 B13R1.351 O=C(O)C(F)OCc1cccnc1 9b3e71425b2257958a089a1733097bdc [0,0,0,0,0,2|2,0,0]=4 809 B13R1.351 O=C(O)C(O)CNc1cccnc1 4e42b52b686bb67b3519d1dfcc78573a [0,0,0,0,0,2|2,0,0]=4 810 B13R1.351 O=C(O)C(O)CNc1ccncc1 416a4b6dad6e79b6b8645e30392a4122 [0,0,0,0,0,2|2,0,0]=4 811 B13R1.351 O=C(O)C(O)CNc1ccncn1 26e7a849bb3871f76a1937ca0939cc46 [0,0,0,0,0,2|1,0,1]=4 812 B13R1.351 O=C(O)C(O)CNc1ccnnc1 3d39c315de783422d4437481129391d1 [0,0,0,0,0,2|2,0,0]=4 813 B13R1.351 O=C(O)C(O)CNc1cnccn1 dc70dbf8c04877fc91bd6585131ae1ab [0,0,0,0,0,2|1,0,1]=4 814 B13R1.351 O=C(O)C(O)CNc1cncnc1 2f7a501c249c05f865b93f680136b604 [0,0,0,0,0,2|1,0,1]=4 815 B13R1.351 O=C(O)C(O)CNc1cnncn1 f2597a4784140bd9c8f4cd7a3ee986e6 [0,0,0,0,0,2|1,0,1]=4 816 B13R1.351 O=C(O)C(O)CNc1ncncn1 7504ae2fafe09c9c2e76e4e0781b5464 [0,0,0,0,0,2|1,0,1]=4 817 B13R1.351 O=C(O)C(O)NCc1cccnc1 11420a82cb68ad0cccf6650474b76aa0 [0,0,0,0,0,2|2,0,0]=4 818 B13R1.351 O=C(O)C(O)NCc1ccncn1 c854c171c2dcad458bebaf80af94c913 [0,0,0,0,0,2|1,0,1]=4 819 B13R1.351 O=C(O)C(O)NCc1cncnc1 9d605fe7becf5a16abd023638bb375a5 [0,0,0,0,0,2|1,0,1]=4 820 B13R1.351 O=C(O)[C@@H](O)CNc1cccnc1 2a9e290c8133604a19925a10c1cc952f [0,0,0,0,0,2|2,0,0]=4 821 B13R1.351 O=C(O)[C@@H](O)CNc1ccncc1 88a23786ab8e4294161496b431348e8e [0,0,0,0,0,2|2,0,0]=4 822 B13R1.351 O=C(O)[C@@H](O)CNc1ccncn1 cd4bf5c821cf2e9a6cb31992cf3b4fb3 [0,0,0,0,0,2|1,0,1]=4 823 B13R1.351 O=C(O)[C@@H](O)CNc1ccnnc1 5abdf61e6c42a227b6f6a94d9779d83f [0,0,0,0,0,2|2,0,0]=4 824 B13R1.351 O=C(O)[C@@H](O)CNc1cnccn1 b122bc37ce3434bbe69152fa44aa4b91 [0,0,0,0,0,2|1,0,1]=4 825 B13R1.351 O=C(O)[C@@H](O)CNc1cncnc1 05e6d935dcec9e3bcee39c2f6c64047f [0,0,0,0,0,2|1,0,1]=4 826 B13R1.351 O=C(O)[C@@H](O)CNc1cnncn1 8b628cac652b01fe3914afbef37d5ffc [0,0,0,0,0,2|1,0,1]=4 827 B13R1.351 O=C(O)[C@@H](O)CNc1ncncn1 2837c2e239b19c99907a7888d7eb582a [0,0,0,0,0,2|1,0,1]=4 828 B13R1.351 O=C(O)[C@H](F)NCc1cccnc1 d8bb238fee685fd1b18e6a06122c564a [0,0,0,0,0,2|2,0,0]=4 829 B13R1.351 O=C(O)[C@H](F)NCc1ccncc1 b121af9652b93f1c58cd6f26ffe50afc [0,0,0,0,0,2|2,0,0]=4 830 B13R1.351 O=C(O)[C@H](F)NCc1ccnnc1 7f76acc4f28913635f28166aec5d7544 [0,0,0,0,0,2|2,0,0]=4 831 B13R1.351 O=C(O)[C@H](O)CNc1cccnc1 053f92fc66a9b14b9b966848cfa63726 [0,0,0,0,0,2|2,0,0]=4 832 B13R1.351 O=C(O)[C@H](O)CNc1ccncc1 4c418bd4b0e482b6b257394c392ff5ac [0,0,0,0,0,2|2,0,0]=4 833 B13R1.351 O=C(O)[C@H](O)CNc1ccnnc1 7ab01898cc5018d29ad3f71095399721 [0,0,0,0,0,2|2,0,0]=4 834 B13R1.351 O=C(O)[C@H](O)CNc1cnccn1 3e373813ec5c5a0af6dd2683f2204460 [0,0,0,0,0,2|1,0,1]=4 835 B13R1.344 CC(Cc1ccc[nH]1)NCC(=O)O f70efcf3fef92e854e3b6f985053bfa5 [0,0,0,0,0,2|2,0,0]=4 836 B13R1.344 CN(CCC(=O)O)Cc1cnc[nH]1 5fdef11dd5617326dc8fd8fd73508673 [0,0,0,0,0,2|2,0,0]=4 837 B13R1.593 CC(=O)OC(C)OCc1cnc[nH]1 af6f06aea63e4d795a1b66ee5ff211a1 [0,0,0,0,0,2|2,0,0]=4 838 B13R1.593 CC(CC(=O)O)NCc1ccc[nH]1 9318dc42cd752b8e6813fb3bcab82221 [0,0,0,0,0,2|2,0,0]=4 839 B13R1.593 CC(CC(=O)O)NCc1cnc[nH]1 053ec9b96281f76adb4448bbc62df202 [0,0,0,0,0,2|1,0,0]=3 840 B13R1.593 CC(CC(=O)O)NCc1cnco1 acc926c5d88348cbf9fade8ec7a835c6 [0,0,0,0,0,2|2,0,0]=4 841 B13R1.593 CC(CC(=O)O)OCc1ccc[nH]1 cf854ef3b9143eff49eb2549d4342fce [0,0,0,0,0,2|2,0,0]=4 842 B13R1.593 CC(CC(=O)O)OCc1cnc[nH]1 4a33c3e70b4ebe51fd097dbfe3ec0647 [0,0,0,0,0,2|1,0,0]=3 843 B13R1.593 CC(CC(=O)O)OCc1cnn[nH]1 3965485e440b6312a1e724ccc05f5ec3 [0,0,0,0,0,2|2,0,0]=4 844 B13R1.593 C[C@@H](CC(=O)O)NCc1cnc[nH]1 bfd74805b359e656ad39e9c7f77feb3b [0,0,0,0,0,2|1,0,0]=3 845 B13R1.593 C[C@H](CC(=O)O)NCc1cnc[nH]1 b3dd1b656e639f8202e8b61d190b8740 [0,0,0,0,0,2|1,0,0]=3 846 B13R1.593 O=C(O)CC(O)CNc1cncs1 197a6756a06b4a52b18b64d206f8db08 [0,0,0,0,0,2|2,0,0]=4 847 B13R1.593 O=C(O)C[C@@H](O)CNc1cncs1 66ec9bea74b231807bcdee3d885f7bdd [0,0,0,0,0,2|2,0,0]=4 848 B13R1.593 O=C(O)C[C@H](O)CNc1cncs1 23beb0140e0e6570786f78634826c5f4 [0,0,0,0,0,2|2,0,0]=4 849 B13R1.1110 C=C(COCc1cnc[nH]1)C(=O)O 731757f97f3a6fcc638f0050080dc5d8 [0,0,0,0,0,2|1,0,1]=4 850 B13R1.1110 CC(=O)C(C)COCc1cnc[nH]1 da0cf0bd4f5110f619574bfa286fb5f1 [0,0,0,0,0,2|2,0,0]=4 851 B13R1.1110 CC(CNCc1ccc[nH]1)C(=O)O 7aae89442e07c6f43416f5e9ad7671bb [0,0,0,0,0,2|2,0,0]=4 852 B13R1.1110 CC(CNCc1cnc[nH]1)C(=O)O 847ba1028a8bec836931f75825b8ad45 [0,0,0,0,0,2|1,0,0]=3 853 B13R1.1110 CC(CNCc1cnco1)C(=O)O 5580aaa499c87c4ef4564a446f8bfc96 [0,0,0,0,0,2|2,0,0]=4 854 B13R1.1110 CC(CNCc1cncs1)C(=O)O 18f60187f7f5f6c12923d0ee17fb8fad [0,0,0,0,0,2|2,0,0]=4 855 B13R1.1110 CC(COCc1ccc[nH]1)C(=O)O 1a681a06faca5553dea2ee561373dc76 [0,0,0,0,0,2|2,0,0]=4 856 B13R1.1110 CC(COCc1cnc[nH]1)C(=O)O 3ebfa7a12fb81b014bb1bc0921a0ea09 [0,0,0,0,0,2|1,0,0]=3 857 B13R1.1110 CC(COCc1cnco1)C(=O)O b0fd88369e9458cf4873e76ac93f8c50 [0,0,0,0,0,2|2,0,0]=4 858 B13R1.1110 CC(COCc1cnn[nH]1)C(=O)O a7f77967c10a9818158bc62acdb1ee96 [0,0,0,0,0,2|2,0,0]=4 859 B13R1.1110 CC(NCCc1ccc[nH]1)C(=O)O ae7fb2a23825d4c3ea8b0f6e4a3dd1c0 [0,0,0,0,0,2|2,0,0]=4 860 B13R1.1110 CC(NCCc1cnn[nH]1)C(=O)O 75a01b3dce473c70197fae677377fcdd [0,0,0,0,0,2|2,0,0]=4 861 B13R1.1110 C[C@@H](CNCc1cnc[nH]1)C(=O)O ba82ef37398622566268cb888dc11de9 [0,0,0,0,0,2|1,0,0]=3 862 B13R1.1110 C[C@@H](COCc1cnc[nH]1)C(=O)O ccf24b99ff5cd5cff7800e3b1f1b3705 [0,0,0,0,0,2|1,0,0]=3 863 B13R1.1110 C[C@@H](NCCc1ccc[nH]1)C(=O)O b915b4459b087bc3f43c0e4c4a0d7c24 [0,0,0,0,0,2|2,0,0]=4 864 B13R1.1110 C[C@@H](NCCc1cnn[nH]1)C(=O)O de6efce771c0d38c98f7267de2ece44a [0,0,0,0,0,2|2,0,0]=4 865 B13R1.1110 C[C@H](CNCc1cnc[nH]1)C(=O)O a480e7b256d3e7060f35cf49528d0bb6 [0,0,0,0,0,2|1,0,0]=3 866 B13R1.1110 C[C@H](COCc1cnc[nH]1)C(=O)O 907cbea0490c86db11eefeef229f422c [0,0,0,0,0,2|1,0,0]=3 867 B13R1.1110 C[C@H](NCCc1ccc[nH]1)C(=O)O 03ceae601be9ad407d93da3a18066a51 [0,0,0,0,0,2|2,0,0]=4 868 B13R1.1110 C[C@H](NCCc1cnn[nH]1)C(=O)O 9e71e02b6207423bc1342a1cde1f94d6 [0,0,0,0,0,2|2,0,0]=4 869 B13R1.1110 O=C(O)C(=O)COCc1cnc[nH]1 75b724d355ef7e33e59b7c8fb35bfaa9 [0,0,0,0,0,2|1,0,1]=4 870 B13R1.1110 O=C(O)C(F)CCNc1cncs1 91a47aa85a3f41991645fab19c6954ae [0,0,0,0,0,2|2,0,0]=4 871 B13R1.1110 O=C(O)C(F)CNCc1cnc[nH]1 a7e444231444fe837f39789b7913361b [0,0,0,0,0,2|1,0,0]=3 872 B13R1.1110 O=C(O)C(F)NCCc1ccc[nH]1 195d8d0be5842a720a2eb0e41478c165 [0,0,0,0,0,2|2,0,0]=4 873 B13R1.1110 O=C(O)C(O)CNCc1ccc[nH]1 2304c93b0a232b6d52ff30ab756fbfce [0,0,0,0,0,2|2,0,0]=4 874 B13R1.1110 O=C(O)C(O)CNCc1cnc[nH]1 89d3612fe2759260e483152d4842ed97 [0,0,0,0,0,2|1,0,0]=3 875 B13R1.1110 O=C(O)C(O)CNCc1cnco1 94031dcda8f61db335f4f4634b9b2102 [0,0,0,0,0,2|2,0,0]=4 876 B13R1.1110 O=C(O)[C@@H](O)CNCc1ccc[nH]1 1e4e35a3a18ecf2bced56ebfd08cc282 [0,0,0,0,0,2|2,0,0]=4 877 B13R1.1110 O=C(O)[C@@H](O)CNCc1cnc[nH]1 24c02a8b8e794a282d8c0b86a6c2adec [0,0,0,0,0,2|1,0,0]=3 878 B13R1.1110 O=C(O)[C@@H](O)CNCc1cnco1 f970419fb79e6be6fab1cfe6b7dd06dd [0,0,0,0,0,2|2,0,0]=4 879 B13R1.1110 O=C(O)[C@H](O)CNCc1cnc[nH]1 c99654678252b188969259fbb1e4444e [0,0,0,0,0,2|1,0,0]=3 880 B13R1.1110 O=C(O)[C@H](O)CNCc1cnco1 bc03ba3f133a3377e3e017eb3857f7ca [0,0,0,0,0,2|2,0,0]=4