0 B12R1.77 CCN(C)c1nccnc1CO 140fc7e48e4cee90b9c1454ce4e13f81 [0,1,0,0,0,0|3,0,0]=4 1 B12R1.77 CCc1ncccc1N(C)CC 653cd43ab9c1eef899745ca4206babae [0,1,0,0,0,0|3,0,0]=4 2 B12R1.77 CCc1nccnc1N(C)CC f7a0025455947edd00b86996888de5b4 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.77 CN(C=O)c1ncccc1CO 643587d9136f5520a2a11a0a10f73511 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.283 C=C(C)c1ccccc1NCC ea0e505bed19cf1b742d99e81e2a19c1 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.283 CC(=O)c1ccccc1NCF 1ab72f8578521c110c575d66405b41a2 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.283 CC(=O)c1ccccc1NCO d2e1f2231008fa0aa6673cb43185414d [0,1,0,0,0,0|3,0,0]=4 7 B12R1.283 CC(=O)c1ccccc1OCF 57e0947b71fc32a997b474f3cb66ed64 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.283 CC(=O)c1cccnc1NC#N 189fbb5dca7f96866b2129094623bd15 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.283 CC(=O)c1cccnc1NC=O 6c6ac0ea755743b9bc95e9d6e31eb171 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.283 CC(=O)c1cccnc1NCF c35e4fc64ad0f6c682612db9b36baae5 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.283 CC(=O)c1cccnc1NCO aef6d79ed02160dd4319b2531e0459b1 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.283 CC(=O)c1cncnc1NCF 8d72ef75ea11c4a49a97d242a2cbc8db [0,1,0,0,0,0|3,0,0]=4 13 B12R1.283 CC(=O)c1cncnc1NCO 11bc6dd75370f2cb55ad855a30e6001e [0,1,0,0,0,0|3,0,0]=4 14 B12R1.283 CC(=O)c1ncccc1NC#N c8f3dbe1eccee0f47e3c618758b3e2d3 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.283 CC(=O)c1ncccc1NC=O 4d28563199a65e85eed1d49e9310c953 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.283 CC(=O)c1ncccc1NCF 67547632163730f77af206fb9c60d5b8 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.283 CC(=O)c1ncccc1NCO 61c165b8e70519b61a2d5216b4a0c39e [0,1,0,0,0,0|2,0,0]=3 18 B12R1.283 CC(=O)c1ncccc1OCF 965cfc8dfe34eef9a7d9eb7d3794e9e0 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.283 CC(=O)c1nccnc1NC#N a036cf502219b8824e555ee4a2b84dc8 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.283 CC(=O)c1nccnc1NC=O 3f20d95f100c2ef0f8f7ae5785916117 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.283 CC(=O)c1nccnc1NCF 2c953352ff6443fa904d6a4ddb974cc8 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.283 CC(=O)c1nccnc1NCO 039d8fff70bc1aa2264b3489384ee459 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.283 CC(C)c1nccnc1NCF 0f79037385ada73a615fb90f1a4cd135 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.283 CC(C)c1nccnc1NCO bdd7bad20051d8d7f806a8fb8cbb8aa1 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.283 CC(C)c1nccnc1OCF b345cf952ce2214b0f86851791afd0e0 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.283 CCNc1ccccc1C(=O)C 70fd1d8c924ed02da7b250b50c87efa2 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.283 CCNc1ccccc1C(=O)N 1926739e42140aaaa1381ff498dce0ea [0,1,0,0,0,0|3,0,0]=4 28 B12R1.283 CCNc1ccccc1S(=O)C eea31bb6479fbda957125f4f29daefac [0,1,0,0,0,0|3,0,0]=4 29 B12R1.283 CCNc1cccnc1C(=O)C a302b5ac9f7dca10b1f4e7b92f67cad4 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.283 CCNc1cccnc1C(=O)N 0598b602d8fd5dd0e55e91c7b5787e7b [0,1,0,0,0,0|2,0,0]=3 31 B12R1.283 CCNc1cccnc1C(=O)O dc915199c0e30814045c51f5f9d2cdac [0,1,0,0,0,0|2,0,0]=3 32 B12R1.283 CCNc1cccnc1C(=S)N ccefe8269bd8d9f45e432daf18c38a7c [0,1,0,0,0,0|2,1,0]=4 33 B12R1.283 CCNc1cccnc1C(C)C 726b847580c8142b11ca8e9e3b9f89bc [0,1,0,0,0,0|2,0,1]=4 34 B12R1.283 CCNc1cccnc1[N+](=O)[O-] 78b3932642ee93798af8128da3ba57aa [0,1,0,0,0,0|3,0,0]=4 35 B12R1.283 CCNc1ccncc1C(=O)C 1bb8292919ccdda1d4c5d2effd59dd23 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.283 CCNc1cnccc1C(=O)C 220418558fcf44b67c42a89b44668a1c [0,1,0,0,0,0|3,0,0]=4 37 B12R1.283 CCNc1cncnc1C(=O)O b25874d4e162f53f7c64dc2cca7938c5 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.283 CCNc1ncccc1C(=O)C bd99c7d7e7fffc79d9dc62042e9b30b5 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.283 CCNc1ncccc1C(=O)N 76f0d1d44d0a6f90c2232789d542b19b [0,1,0,0,0,0|2,0,0]=3 40 B12R1.283 CCNc1ncccc1C(=O)O f102b82bd6d48d57eee0f84b2648bada [0,1,0,0,0,0|2,0,0]=3 41 B12R1.283 CCNc1ncccc1C(C)C aa57d450e3fe2f0b9b237465d1cc1254 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.283 CCNc1ncccc1N(C)C 05a6f4cdf82719bf31fca74300c61b3c [0,1,0,0,0,0|3,0,0]=4 43 B12R1.283 CCNc1ncccc1[N+](=O)[O-] 4cb7bf18a37b42dea4d699b44a548c17 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.283 CCNc1nccnc1C(=O)C f80d450ada52c8b62523cc882cc50785 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.283 CCNc1nccnc1C(=O)N 8d11588f37cef32f103e87b0cfda873c [0,1,0,0,0,0|1,0,0]=2 46 B12R1.283 CCNc1nccnc1C(=O)O ac5edec02d0eca3cfa1de60ad3fd9c1a [0,1,0,0,0,0|1,0,0]=2 47 B12R1.283 CCNc1nccnc1C(=S)N 7abcd5e77f0a5d23f4704f6d5b6e57cb [0,1,0,0,0,0|1,1,0]=3 48 B12R1.283 CCNc1nccnc1C(C)C 47d48026a1919cb36bfc55160aa323f0 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.283 CCNc1nccnc1N(C)C aa0c24f5ad8570542db849d289a0e1da [0,1,0,0,0,0|2,0,0]=3 50 B12R1.283 CCNc1ncncc1C(=O)C f024b2b8c7993f7043a27c2ac949f49f [0,1,0,0,0,0|2,0,0]=3 51 B12R1.283 CCNc1ncncc1C(=O)N 8eafe5c571837a68ad648ac67e85c73a [0,1,0,0,0,0|3,0,0]=4 52 B12R1.283 CCNc1ncncc1C(=O)O 04ea242c80bf4e6fd60d8ed3d0a37228 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.283 CCNc1nnccc1C(=O)O 82ea0951d73b3531cea699865d8a807a [0,1,0,0,0,0|3,0,0]=4 54 B12R1.283 CCNc1nncnc1C(=O)O b68ea090e19f000f4187300066d98cd7 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.283 CCOc1ccccc1C(=O)C 714020703c7343bf4297a0ea0ff54652 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.283 CCOc1ccccc1C(=O)N 3f06cd2d07f6811aa6f09c5cc570f689 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.283 CCOc1ccccc1C(=O)O 6b1a5e508cb085c6b35ea5df73a75644 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.283 CCOc1ccccc1S(=O)C e5b7eef15aa9fbeb7e7a68972b3e7fbc [0,1,0,0,0,0|3,0,0]=4 59 B12R1.283 CCOc1cccnc1C(=O)C c37ff750f0bc9c3082979457f99ba362 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.283 CCOc1cccnc1C(=O)N 78621c1e03134234e9e226036539949a [0,1,0,0,0,0|2,0,0]=3 61 B12R1.283 CCOc1cccnc1C(=O)O f573e257407c1f9b919d1c95aee1d945 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.283 CCOc1cccnc1C(C)C 563969b98c3353687fd2482cc592558d [0,1,0,0,0,0|2,0,1]=4 63 B12R1.283 CCOc1cccnc1N(C)C 10bee1b46d70d58fd653bf325eaaa91b [0,1,0,0,0,0|3,0,0]=4 64 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 9cf146ab76d079b3d186efcd07728c1d [0,1,0,0,0,0|3,0,0]=4 65 B12R1.283 CCOc1cnccc1C(=O)C 9eedc705f2ddd56796529136a8fdeefb [0,1,0,0,0,0|3,0,0]=4 66 B12R1.283 CCOc1ncccc1C(=O)N 401540195c4d9a982da8dd1e274713b0 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.283 CCOc1ncccc1C(=O)O 6df1f7b7a95317b99239972f7ee74542 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.283 CCOc1ncccc1[N+](=O)[O-] 6b127f8dc9e5d4ab7960d47a5cc0358c [0,1,0,0,0,0|3,0,0]=4 69 B12R1.283 CCOc1nccnc1C(=O)N 4278199bf3c897b67026994daf924604 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.283 CCOc1nccnc1C(=O)O 429c6256fbc6c9d7f7a85edc14aad9bb [0,1,0,0,0,0|1,0,0]=2 71 B12R1.283 CCOc1nccnc1C(C)C 6d78c66297e16d7bac9290bdb3fa3d3e [0,1,0,0,0,0|1,0,1]=3 72 B12R1.283 CCOc1ncncc1C(=O)N 8ba54004374c303615f8495062f40e15 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.283 CN(C)c1nccnc1NCF 0887f7dc4faf1f4addda1c17ef1a8d67 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.283 CN(C)c1nccnc1NCO 16cf4c2de1811663463545bc4705ada7 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.283 NC(=O)c1cccnc1NCF 3aceba8ae8e3563b22f581546c8fb38e [0,1,0,0,0,0|3,0,0]=4 76 B12R1.283 NC(=O)c1cccnc1NCO d2aa487d04a042aeb6863c73416e66a8 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.283 NC(=O)c1cccnc1OCF a4225d8c91938b533ac4e7b0e9dc0a9d [0,1,0,0,0,0|3,0,0]=4 78 B12R1.283 NC(=O)c1ncccc1NCF 15bae419c00caea40a4ec0bd93fc5666 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.283 NC(=O)c1ncccc1NCO 671968e7a114bb0c30a9acf631403562 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.283 NC(=O)c1ncccc1OCF 601e2b32af8b4438ac40ba30fd8e3b55 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.283 NC(=O)c1nccnc1NC=O 14fa6ff1f3d574c80d81535ff82053d9 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.283 NC(=O)c1nccnc1NCF 3b3a813f99e752d3e5ccf0f42cfd4f35 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.283 NC(=O)c1nccnc1NCO e930c75a9cda02d0ee4998e7157766a0 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.283 NC(=O)c1nccnc1OCF dc6bb256321329cfc7cbb7cf4a13ba45 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.283 NC(=S)c1nccnc1NCF f0ffe68391c7215e07072834967a7ed2 [0,1,0,0,0,0|2,1,0]=4 86 B12R1.283 NC(=S)c1nccnc1NCO a66d2811b7db4fc1d75fd13e39bf7822 [0,1,0,0,0,0|2,1,0]=4 87 B12R1.283 O=C(O)c1cccnc1NCF e0182c1845f3eba521344c6c099b10d2 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.283 O=C(O)c1cccnc1NCO fda77951b7fc5a12ce57a854c1413f3e [0,1,0,0,0,0|3,0,0]=4 89 B12R1.283 O=C(O)c1cccnc1OCF 04986612fe8735b5039c9bbe74b7efc4 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.283 O=C(O)c1ncccc1NCF c68ffed3b82ee2b5bcf88703e53770b8 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.283 O=C(O)c1ncccc1NCO a369cba976010587cb1e1c6cfe9c4f27 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.283 O=C(O)c1ncccc1OCF e6c1b4a5b96f8db86e4f13a9aef6edd4 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.283 O=C(O)c1nccnc1NCF 5cf8ae8f786a2e3db790e321cbbf2142 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.283 O=C(O)c1nccnc1NCO a5a134e7562f28586329f4d03bf609f7 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.283 O=C(O)c1nccnc1OCF 10a77e6c03cd7920b16b91878b8997af [0,1,0,0,0,0|2,0,0]=3 96 B12R1.283 O=C(O)c1ncnnc1NCF 6ac80641cf85847279cd3b8368e4e832 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.283 O=C(O)c1ncnnc1NCO ee3c18eaf317135471fff6cdca71ff62 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.75 C#Cc1cccnc1NC(=O)C cefe4a49a6933616fe737480a4459d98 [0,0,0,0,0,1|1,0,2]=4 99 B12R1.75 C#Cc1ncccc1NC(=O)C 62515458b7fdd2728f35fe0cc2be5973 [0,0,0,0,0,1|1,0,2]=4 100 B12R1.75 C=Cc1ncccc1NC(=O)C ec63d6fee9e8b47aebc8badbe4819850 [0,0,0,0,0,1|1,0,2]=4 101 B12R1.75 CC(=O)Nc1ccccc1CBr f4be17e173403bc79c7519660c99e8f1 [0,0,0,0,0,1|3,0,0]=4 102 B12R1.75 CC(=O)Nc1ccccc1CO b89646b9773d96392fa1223dcb029965 [0,0,0,0,0,1|3,0,0]=4 103 B12R1.75 CC(=O)Nc1ccccc1CS bed3f5860b5c74a89ab9fd435ab53256 [0,0,0,0,0,1|3,0,0]=4 104 B12R1.75 CC(=O)Nc1cccnc1C#N 424d67e9c53a6b672a9fdea18538ab4b [0,0,0,0,0,1|2,0,1]=4 105 B12R1.75 CC(=O)Nc1cccnc1C=O 6031952e06d6c3dd5c06d5d1b8d673a4 [0,0,0,0,0,1|2,0,1]=4 106 B12R1.75 CC(=O)Nc1cccnc1CCl 594df1ca20e30d6fd09add01ebe427c9 [0,0,0,0,0,1|2,0,0]=3 107 B12R1.75 CC(=O)Nc1cccnc1CO e68eb72d303aa40b748fc26626584acc [0,0,0,0,0,1|2,0,0]=3 108 B12R1.75 CC(=O)Nc1ncccc1C#N dc170909cb8b62d83985bb6ee2c9d057 [0,0,0,0,0,1|2,0,1]=4 109 B12R1.75 CC(=O)Nc1ncccc1C=O 6e25b5e5e31525a78fff539b1428d3c6 [0,0,0,0,0,1|2,0,1]=4 110 B12R1.75 CC(=O)Nc1ncccc1CCl f3f9e277f0bb47f50e2493cca33a6912 [0,0,0,0,0,1|2,0,0]=3 111 B12R1.75 CC(=O)Nc1ncccc1CO 2c8c8d92402de2014ef13b68f099aafb [0,0,0,0,0,1|2,0,0]=3 112 B12R1.75 CC(=O)Nc1nccnc1C=O 644324dc960d01b02d26e56632331345 [0,0,0,0,0,1|1,0,1]=3 113 B12R1.75 CC(=O)Nc1nccnc1CO fb45d86a51b8b3b87d03dbd4c6cfe1af [0,0,0,0,0,1|1,0,0]=2 114 B12R1.75 CC(C)Nc1nccnc1CO 42a6d31fa57d49bbf4b11e1fa004ee77 [0,0,0,0,0,1|2,0,1]=4 115 B12R1.75 CCc1ccccc1NC(=O)C ab6d65e3c5537181bc992814e45b99ca [0,0,0,0,0,1|2,0,0]=3 116 B12R1.75 CCc1cccnc1NC(=O)C 5ccd1bf58f9b882d77c50aec55d4911a [0,0,0,0,0,1|1,0,0]=2 117 B12R1.75 CCc1cccnc1NC(C)C 074962f612db0044f1abd620b23f2388 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.75 CCc1cccnc1OC(C)C 5fee549730a9ae72f772ded465cf00c6 [0,0,0,0,0,1|2,0,1]=4 119 B12R1.75 CCc1ncccc1NC(=O)C db64c5f0d2a0a4e9f29bef143a21de04 [0,0,0,0,0,1|1,0,0]=2 120 B12R1.75 CCc1ncccc1NC(C)C 83f2eec9fb1c0ceeec7d68093d60d070 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.75 CCc1ncccc1OC(C)C d4e97828ffb2811afa6c085ad0b3400b [0,0,0,0,0,1|2,0,1]=4 122 B12R1.75 CCc1nccnc1NC(=O)C aca6bb077ee21512de5bfdea49becf9f [0,0,0,0,0,1|0,0,0]=1 123 B12R1.75 CCc1nccnc1NC(C)C 77e2a813d30daf392e99d63a90c143c7 [0,0,0,0,0,1|1,0,1]=3 124 B12R1.75 COc1ccccc1NC(=O)C 99183408a901862594abd2438e5d4ddd [0,0,0,0,0,1|3,0,0]=4 125 B12R1.75 COc1cccnc1NC(=O)C 7bb307565036758aca5788b4766577f3 [0,0,0,0,0,1|2,0,0]=3 126 B12R1.75 COc1ncccc1NC(=O)C b95ce8608e7584ac0e928bcb0dafd19f [0,0,0,0,0,1|2,0,0]=3 127 B12R1.75 COc1nccnc1NC(=O)C 00d3269abe5d841944f3330f5000bfc7 [0,0,0,0,0,1|1,0,0]=2 128 B12R1.75 COc1nccnc1NC(C)C 655de8cc36421b1edfe8c7c37440c49c [0,0,0,0,0,1|2,0,1]=4 129 B12R1.75 COc1nnccc1NC(=O)C 47c3d4b2bbdb1cd0a7b8cbe4032ba736 [0,0,0,0,0,1|3,0,0]=4 130 B12R1.75 CSc1ccccc1NC(=O)C 963646d8f23d85ca9001073ee0217f48 [0,0,0,0,0,1|3,0,0]=4 131 B12R1.75 CSc1cccnc1NC(=O)C cc756f9c41be633c33187cccb11de533 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.41 C#Cc1nccnc1NCC 814056e9040ec9d750e1f56bb3f325ae [1,1,0,0,0,0|0,0,2]=4 133 B11R1.41 C=Cc1ncccc1NCC ca681695476fa9b7a0657e26bc0893a3 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.41 CCNc1ccccc1C=O e407661523fe9d010b54d3988947bb3c [1,1,0,0,0,0|2,0,0]=4 135 B11R1.41 CCNc1cccnc1C=O 8d4bc9194d31c64022b57aa4d071af2d [1,1,0,0,0,0|1,0,0]=3 136 B11R1.41 CCNc1cccnc1CC 4f4b575e131b0479c2e59b3a14179001 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.41 CCNc1cccnc1OC 6c16951aa28eb8640f69e778236dcc64 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.41 CCNc1cncnc1C=O 617bc6aad46fd3404918762f4ae41abf [1,1,0,0,0,0|2,0,0]=4 139 B11R1.41 CCNc1ncccc1C=O 5a449483c403682224d71ac4f5832a05 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.41 CCNc1ncccc1CC 86f1aca5e9b7451ffcff7846ea8be432 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.41 CCNc1ncccc1OC e11a6d486ebd6d3676b1c4bdb22a578b [1,1,0,0,0,0|2,0,0]=4 142 B11R1.41 CCNc1ncccc1SC b7dccf5a75922163ebbd2a1ff2b4440e [1,1,0,0,0,0|2,0,0]=4 143 B11R1.41 CCNc1nccnc1C#N f582a533128143b12ed7aa1ca79be747 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.41 CCNc1nccnc1C=O c7e35837c65b46e7218e074b67e54192 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.41 CCNc1nccnc1CC e07e25d7d6008e66a997d60209a22bf4 [1,1,0,0,0,0|0,0,1]=3 146 B11R1.41 CCNc1nccnc1CO 2c7722c380df68d22bd2841f9b891007 [1,1,0,0,0,0|0,0,2]=4 147 B11R1.41 CCNc1nccnc1OC 3dc342deca17865f68170508aef23954 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.41 CCNc1ncncc1C=O 7de5c8ce6c55f36df368b8fabeaf0d96 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.41 CCOc1ccccc1C=O 3b9e1c80fdd444a8b433211ec89c2bc9 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.41 CCOc1cccnc1C=O c2376d9c6a6d5f8b110bd9b2dd5a23ed [1,1,0,0,0,0|1,0,0]=3 151 B11R1.41 CCOc1cccnc1CC c989c2c26e1ed5cf83633d96ad9aa2bc [1,1,0,0,0,0|1,0,1]=4 152 B11R1.41 CCOc1cccnc1OC 7bbc4184d60a18d7ecb599265150ad82 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.41 CCOc1ncccc1CC 36d68d57d658301e72d95866a9d02ecb [1,1,0,0,0,0|1,0,1]=4 154 B11R1.41 CCc1ccccc1NC=O f5899686188b5c72f9d67644802900c5 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.41 CCc1cccnc1NC=O baacbae494772eaee75a08d76aa1493d [1,1,0,0,0,0|1,0,0]=3 156 B11R1.41 CCc1cccnc1NCF 79b98f3f645739e3c8c0183d036baaed [1,1,0,0,0,0|2,0,0]=4 157 B11R1.41 CCc1cccnc1NCO 79e2d22cdb818b54f97165c9e9ff1a7b [1,1,0,0,0,0|2,0,0]=4 158 B11R1.41 CCc1cccnc1OCF 3eefab2b48a89bee2b2b93a0e9133bfc [1,1,0,0,0,0|2,0,0]=4 159 B11R1.41 CCc1ncccc1NC=O e4a1bdcac4f3d8f0d050248a3ef929dc [1,1,0,0,0,0|1,0,0]=3 160 B11R1.41 CCc1ncccc1NCO 8def9462b4d3408652c8d04c365636b2 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.41 CCc1ncccc1OCF f627c6330784b0d07ff7a1315ca5f79c [1,1,0,0,0,0|2,0,0]=4 162 B11R1.41 CCc1nccnc1NC#N 538851f22aa1a28eb82b45007807b07f [1,1,0,0,0,0|1,0,1]=4 163 B11R1.41 CCc1nccnc1NC=O 619ab142ddd8ffd8cc79e691509afd80 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.41 CCc1nccnc1NCF 486115acda7d734983e0b13818ef236f [1,1,0,0,0,0|1,0,0]=3 165 B11R1.41 CCc1nccnc1NCO 2ac635d3f17a2c0c22976fdb1330769b [1,1,0,0,0,0|1,0,0]=3 166 B11R1.41 CCc1ncncc1NC=O 4d820321008b8dfc86be5742f124441d [1,1,0,0,0,0|2,0,0]=4 167 B11R1.41 COc1cccnc1NC=O 1073bb2c85ac4f083b790bfe38269bcc [1,1,0,0,0,0|2,0,0]=4 168 B11R1.41 COc1ncccc1NC=O 45cc258c26141c552f0a2d949667fe9b [1,1,0,0,0,0|2,0,0]=4 169 B11R1.41 COc1nccnc1NC=O 7a05052076c50d6256b37a426b38925a [1,1,0,0,0,0|1,0,0]=3 170 B11R1.41 COc1nccnc1NCF 8c29c411549f717b4155c0bd1106d0ac [1,1,0,0,0,0|2,0,0]=4 171 B11R1.41 COc1nccnc1NCO 4679584531f3e420c46cede4443d9182 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.41 CSc1cccnc1NC=O c91ce8577500e233852ca41f6946409b [1,1,0,0,0,0|2,0,0]=4 173 B11R1.41 N#Cc1nccnc1NC=O 201243fe1f8c03b6d918355b325172fb [1,1,0,0,0,0|1,0,1]=4 174 B11R1.41 O=CNc1cccnc1CCl 668b91e42832828028122ce78c9851eb [1,1,0,0,0,0|2,0,0]=4 175 B11R1.41 O=CNc1cccnc1CO 9dbd7f6688e5cea477c7b7c616617b11 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.41 O=CNc1ncccc1CCl 1fd8fccf7acce7d77765a5e1d98cf4c2 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.41 O=CNc1ncccc1CO 950587f3df5f0ba8842371d836934f37 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.41 O=CNc1nccnc1C=O 94d399889d2bd88bd99ca4db209ae3d2 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.41 O=CNc1nccnc1CO da92e4e5842ff2ae3ff9c58d24f0b6d4 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.41 O=Cc1cccnc1NCF c14c285a72d31c42e591a37c6dc294d3 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.41 O=Cc1cccnc1NCO cf4764e8819ee27927fc26e1e84e99eb [1,1,0,0,0,0|2,0,0]=4 182 B11R1.41 O=Cc1ncccc1NCF 8c4ceb281e116a8f25ed3723505bce44 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.41 O=Cc1ncccc1NCO fe826122bfe08f1c3d5adfca5047a3c7 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.41 O=Cc1ncccc1OCF 593934ec80a308fd8caf8ffd1502e696 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.41 O=Cc1nccnc1NCF 36b9a2cd9262d926dc9b31e50fd02d28 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.41 O=Cc1nccnc1NCO 881f3936ea92caecaed8b9b4d9aa3917 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.41 OCNc1nccnc1CO 41e786d7fc5e3d1c90268722c5ac1f17 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.41 OCc1nccnc1NCF 9ff477a45116bc2eac317a0b9773e85c [1,1,0,0,0,0|2,0,0]=4 189 B11R1.222 CCN(C)c1nccnc1C 5d523a19a51f60cd39551c666cbc848c [1,1,0,0,0,0|2,0,0]=4 190 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.222 Cc1cccnc1N(C)C=O 438b938c4b12b8c4e4c902048dbadb00 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.222 Cc1ncccc1N(C)C=O dc35c78fbaab6693ce2763b76bacc250 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [1,1,0,0,0,0|1,0,0]=3 194 B11R1.222 Cc1nccnc1N(C)CF 20ace126cd985ce0955e893a80d5d172 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.222 Cc1nccnc1N(C)CO f1e1ceafafa3cb3a2476908de66105b7 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.193 CC(=O)c1c[nH]nc1NCF e168ae79650b509bf790e7375ef054d0 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.193 CC(=O)c1c[nH]nc1NCO 015b8b1057a5f357591be2eee9716824 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.193 CC(=O)c1ccsc1NCF 7f56c3ea686155585243031812d21777 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.193 CC(=O)c1ccsc1NCO ed0d495723156970dbb61a409960e771 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.193 CC(=O)c1sccc1NCF a72468d845ecd2b7bfd848900d33d76b [0,1,0,0,1,0|2,0,0]=4 201 B11R1.193 CC(=O)c1sccc1NCO 9a271d2e8b8bf9151ec8cb21577f8b26 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.193 CC(=O)c1sccc1OCF 2471377088bfc8f0871201044b2067b4 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.193 CCNc1[nH]cnc1C(=O)N ef68781d33fc44c0a47fe9861cd0e8d6 [0,1,0,0,1,0|1,0,1]=4 204 B11R1.193 CCNc1ccsc1C(=O)C 3c2b645e644a33d4eff0169d81e9881b [0,1,0,0,1,0|1,0,0]=3 205 B11R1.193 CCNc1ccsc1C(=O)N bb5e430206163540dd89aa1141475aaa [0,1,0,0,1,0|2,0,0]=4 206 B11R1.193 CCNc1ccsc1C(=O)O 3706ac313ad810e4036ec36833d294ab [0,1,0,0,1,0|2,0,0]=4 207 B11R1.193 CCNc1n[nH]cc1C(=O)C 1538d59a3931f1bbf7e302abee9305b7 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.193 CCNc1n[nH]cc1C(=O)O 26b2e473b7afb161fbb0476ffd338f41 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.193 CCNc1nonc1C(=O)N 447232121b2b7ee42678e38612d7610c [0,1,0,0,1,0|2,0,0]=4 210 B11R1.193 CCNc1nonc1C(=O)O dfd1f572ee63fe3b9029112b8d2ce492 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.193 CCNc1nsnc1C(=O)N 4a2057aee9379772e672dd6c194d149e [0,1,0,0,1,0|2,0,0]=4 212 B11R1.193 CCNc1nsnc1C(=O)O 434ca67a3ef3423319a7a5ae77b1679a [0,1,0,0,1,0|2,0,0]=4 213 B11R1.193 CCNc1ocnc1C(=O)N 84013822a185f446f212cfe6d7d906b3 [0,1,0,0,1,0|2,0,0]=4 214 B11R1.193 CCNc1sccc1C(=O)C c8378ca4666e458e1c072a8a29c580ce [0,1,0,0,1,0|1,0,0]=3 215 B11R1.193 CCNc1sccc1C(=O)N affc9662a86cb3a16592e2b50a96a06a [0,1,0,0,1,0|2,0,0]=4 216 B11R1.193 CCNc1sccc1C(=O)O 23e0578146fcc9d31bfc8187826e142f [0,1,0,0,1,0|2,0,0]=4 217 B11R1.193 CCNc1scnc1C(=O)N 5d8607eb974b8758b140d85434b2ab09 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.193 CCOc1ccsc1C(=O)C 78c6316a803a61759033f5c1b936826c [0,1,0,0,1,0|1,0,0]=3 219 B11R1.193 CCOc1ccsc1C(=O)O 668fe112dc1509d7263b288284e72035 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.193 CCOc1nc[nH]c1C(=O)N 4f5f282c16aa660f5090997345334e4b [0,1,0,0,1,0|1,0,1]=4 221 B13R1.51 CC(=O)Nc1ncc(cc1CO)F d76e361dc16606be7e8fde77225e7c5c [0,1,0,0,0,1|2,0,0]=4 222 B13R1.51 CCc1cc(ccc1NC(=O)C)F 5e4aeb14c433a618ed031481e4511802 [0,1,0,0,0,1|2,0,0]=4 223 B13R1.51 CCc1cc(ccc1NC(=O)C)I e6947054844c6dea8e83ccae5e571230 [0,1,0,0,0,1|2,0,0]=4 224 B13R1.89 CC(=O)N(C)c1ncccc1CO 185a27817e027c0a578d7c7a1f164a18 [0,1,0,0,0,1|2,0,0]=4 225 B13R1.91 C#CC(=O)Nc1cccnc1CC 7d3b4a6f00d87fc7d629e8ceef11f17d [0,1,0,0,0,1|1,0,1]=4 226 B13R1.91 C#CC(=O)Nc1ncccc1CC 8473ca7b05e90d27a4febbd66af35ce0 [0,1,0,0,0,1|1,0,1]=4 227 B13R1.91 C#CC(=O)Nc1nccnc1CC 7dddcefeeefac5df6c070a0a4775c45c [0,1,0,0,0,1|0,0,1]=3 228 B13R1.91 C#CC(=O)Nc1nccnc1CO 02baf33dcb3f5c297585d3fdd45a5b59 [0,1,0,0,0,1|1,0,1]=4 229 B13R1.91 C#CC(=O)Nc1nccnc1OC aef730c78bc8cfa01c1459feebec8e77 [0,1,0,0,0,1|1,0,1]=4 230 B13R1.91 C=CC(=O)Nc1cccnc1CC cf73a80edb7c15d8db637a6089b19334 [0,1,0,0,0,1|1,0,1]=4 231 B13R1.91 C=CC(=O)Nc1ncccc1CC b5a266e8aee51a79f7ea284fef872b0d [0,1,0,0,0,1|1,0,1]=4 232 B13R1.91 C=CC(=O)Nc1nccnc1CC 9cdc7b85f0a0c7da7cbd38fc589545e2 [0,1,0,0,0,1|0,0,1]=3 233 B13R1.91 C=CC(=O)Nc1nccnc1CO c8d6463bfaeaced111aa4da6fae1c933 [0,1,0,0,0,1|1,0,1]=4 234 B13R1.91 C=CC(=O)Nc1nccnc1OC a72540268cd452e5b11ed418b4ef4f94 [0,1,0,0,0,1|1,0,1]=4 235 B13R1.91 C=CC(C)Nc1nccnc1CC 23386ef58b0525d391aa4ef89c28322c [0,1,0,0,0,1|1,0,1]=4 236 B13R1.91 CC(C=O)Nc1nccnc1CO 9093fff888e0f229fc3c95c5f786257d [0,1,0,0,0,1|1,0,1]=4 237 B13R1.91 CCC(=O)Nc1ccccc1CC fcc683bfe1e2f10f5eb16592acc4fd67 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.91 CCC(=O)Nc1cccnc1CC c40061ce1f6d48358de7f94b541114a3 [0,1,0,0,0,1|1,0,0]=3 239 B13R1.91 CCC(=O)Nc1cccnc1CCl e3f6874cfa2b56d2a210ab58147a8d98 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.91 CCC(=O)Nc1cccnc1CO bc3e22bd1e47f13262c2a31b636853bd [0,1,0,0,0,1|2,0,0]=4 241 B13R1.91 CCC(=O)Nc1cccnc1OC 80bb88640832d148c5de85e4f99849b2 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.91 CCC(=O)Nc1cncnc1CC 1c1a6dfb9483a06bf05a0c58283a6c12 [0,1,0,0,0,1|2,0,0]=4 243 B13R1.91 CCC(=O)Nc1ncccc1CC 3086f887921d21496ef27fd8453f98da [0,1,0,0,0,1|1,0,0]=3 244 B13R1.91 CCC(=O)Nc1ncccc1CCl 9f6a200abbba59744a7e2685eac3a05f [0,1,0,0,0,1|2,0,0]=4 245 B13R1.91 CCC(=O)Nc1ncccc1CO 87245bfec006f131d355df337367b522 [0,1,0,0,0,1|2,0,0]=4 246 B13R1.91 CCC(=O)Nc1ncccc1OC e710db6bd79879dd5a63ae05858b5dfa [0,1,0,0,0,1|2,0,0]=4 247 B13R1.91 CCC(=O)Nc1ncccc1SC 1418bd61df4eda6d828905373931c6d4 [0,1,0,0,0,1|2,0,0]=4 248 B13R1.91 CCC(=O)Nc1nccnc1C=O 448f338a0808dc8217ab8acd37391577 [0,1,0,0,0,1|1,0,1]=4 249 B13R1.91 CCC(=O)Nc1nccnc1CC b1a1e7612beea54c41ca45fd4c76f888 [0,1,0,0,0,1|0,0,0]=2 250 B13R1.91 CCC(=O)Nc1nccnc1CO 5e3cc40e07ed4b30e8a838a189cb2bc5 [0,1,0,0,0,1|1,0,0]=3 251 B13R1.91 CCC(=O)Nc1nccnc1OC 1ab2ab673362a20b9166845f93508eda [0,1,0,0,0,1|1,0,0]=3 252 B13R1.91 CCc1ccccc1NC(=O)CF 0074f16e925506759a4d6f0ff223e52f [0,1,0,0,0,1|2,0,0]=4 253 B13R1.91 CCc1ccccc1NC(=O)CO 441d7fa9a700dc2439e41a789e5caddd [0,1,0,0,0,1|2,0,0]=4 254 B13R1.91 CCc1ccccc1NC(=O)CS 5c4db0bef042e791363fa07bff3e75f8 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.91 CCc1cccnc1NC(=O)C=O 322b0310f76c9fc65482cc7a1b805df4 [0,1,0,0,0,1|1,0,1]=4 256 B13R1.91 CCc1cccnc1NC(=O)CF adbd2d155f7e07ceeb123a6a86268d94 [0,1,0,0,0,1|1,0,0]=3 257 B13R1.91 CCc1cccnc1NC(=O)CO 0b5a87ac3293c02e9b03404fe539c732 [0,1,0,0,0,1|1,0,0]=3 258 B13R1.91 CCc1cccnc1NC(=O)CS 139f8e2fa7bd9b61a7096b4931c3a10c [0,1,0,0,0,1|1,0,0]=3 259 B13R1.91 CCc1cccnc1NC(C)C=O 998df18b8ad737b7b863c1d742f0dad3 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.91 CCc1cccnc1N[C@H](C)C=O 50e4bc064e89d77f1837d7575afe4b33 [0,1,0,0,0,1|1,0,1]=4 261 B13R1.91 CCc1cccnc1OC(C)C=O 115d8a561fd4916b570cfffe778400c7 [0,1,0,0,0,1|1,0,1]=4 262 B13R1.91 CCc1cccnc1O[C@H](C)C=O 690550d976d9404c0c8e1166581f1f23 [0,1,0,0,0,1|1,0,1]=4 263 B13R1.91 CCc1ncccc1NC(=O)C=O 2c29ed3321a46369d001a8e5a1f1f8f6 [0,1,0,0,0,1|1,0,1]=4 264 B13R1.91 CCc1ncccc1NC(=O)CF 9ac01a4c85a89ff8c2e7ba63991b4884 [0,1,0,0,0,1|1,0,0]=3 265 B13R1.91 CCc1ncccc1NC(=O)CO d9ccb29ee92516ff9cb3e0fe41e3148a [0,1,0,0,0,1|1,0,0]=3 266 B13R1.91 CCc1ncccc1NC(C)C=O daf04e3712a8a60d6deb3b300f26308c [0,1,0,0,0,1|1,0,1]=4 267 B13R1.91 CCc1ncccc1N[C@H](C)C=O 03968118fee92f25ed978b7bb34c0071 [0,1,0,0,0,1|1,0,1]=4 268 B13R1.91 CCc1ncccc1OC(C)C=O 917d25bb30f79ee4f6c34514dbf5dd75 [0,1,0,0,0,1|1,0,1]=4 269 B13R1.91 CCc1ncccc1O[C@H](C)C=O e199dba02145f25904be0414e2838966 [0,1,0,0,0,1|1,0,1]=4 270 B13R1.91 CCc1nccnc1NC(=O)C=O 728dabe0b177952958e0401eb11d8340 [0,1,0,0,0,1|0,0,1]=3 271 B13R1.91 CCc1nccnc1NC(=O)CF d33875b576b28eb5d9dfd648344c90dd [0,1,0,0,0,1|0,0,0]=2 272 B13R1.91 CCc1nccnc1NC(=O)CO 9a30a9f8d5e7c528bdf5bf4d3a3ad05d [0,1,0,0,0,1|0,0,0]=2 273 B13R1.91 CCc1nccnc1NC(=O)CS e9a51affae02acb5a4562a85588ef73a [0,1,0,0,0,1|0,0,0]=2 274 B13R1.91 CCc1nccnc1NC(C)C#N e82bb7ba929a698c1614f9ca5f055a96 [0,1,0,0,0,1|1,0,1]=4 275 B13R1.91 CCc1nccnc1NC(C)C=O 83f830c63da277cdfbcc2795ff6d4d18 [0,1,0,0,0,1|0,0,1]=3 276 B13R1.91 CCc1nccnc1NC(C)CC 880b18e713dd3622c2619a8af59f5852 [0,1,0,0,0,1|1,0,1]=4 277 B13R1.91 CCc1nccnc1NC(C)CO c516402a436d920e1037e2628bae8391 [0,1,0,0,0,1|0,0,2]=4 278 B13R1.91 CCc1nccnc1N[C@@H](C)CC dcff24c7bf1b7a537e6e7119467fa6b8 [0,1,0,0,0,1|1,0,1]=4 279 B13R1.91 CCc1nccnc1N[C@@H](C)CO abbe353e195ff2651d2866516764640b [0,1,0,0,0,1|0,0,2]=4 280 B13R1.91 CCc1nccnc1N[C@H](C)C=O 4a3a20b7f7d2a856daa95e543ff08d1e [0,1,0,0,0,1|0,0,1]=3 281 B13R1.91 CCc1nccnc1N[C@H](C)CC afad7d9efc3c6e3c3ec2820ebfbd3b17 [0,1,0,0,0,1|1,0,1]=4 282 B13R1.91 CCc1nccnc1N[C@H](C)CO 4422bf33b1de6b6b20be5d1ceb2378c4 [0,1,0,0,0,1|0,0,2]=4 283 B13R1.91 COc1cccnc1NC(=O)CF b97b7fe55b274fe4fdb0bfd992b5637d [0,1,0,0,0,1|2,0,0]=4 284 B13R1.91 COc1cccnc1NC(=O)CO 808d4b9bcbfb4cd0913d1fe8c171d225 [0,1,0,0,0,1|2,0,0]=4 285 B13R1.91 COc1cccnc1NC(=O)CS 5968de36550d051fe445fa8fa9dd9588 [0,1,0,0,0,1|2,0,0]=4 286 B13R1.91 COc1ncccc1NC(=O)CF 307de4db7738502d389149af5f3f40be [0,1,0,0,0,1|2,0,0]=4 287 B13R1.91 COc1nccnc1NC(=O)C=O 9cf801bb13d62266211e2c2d81d9640a [0,1,0,0,0,1|1,0,1]=4 288 B13R1.91 COc1nccnc1NC(=O)CF e58bd3f909b04983286c1dae06a11ad4 [0,1,0,0,0,1|1,0,0]=3 289 B13R1.91 COc1nccnc1NC(=O)CO 99fde8a1789dde9a73bd364393082908 [0,1,0,0,0,1|1,0,0]=3 290 B13R1.91 COc1nccnc1NC(=O)CS 72f502914d3b2e2a5fb1562243712134 [0,1,0,0,0,1|1,0,0]=3 291 B13R1.91 COc1nccnc1NC(C)C=O b030affa2d4bd945139fd6dbf9942954 [0,1,0,0,0,1|1,0,1]=4 292 B13R1.91 COc1nccnc1N[C@H](C)C=O 409313e6fe20bd4fbb0098f303883690 [0,1,0,0,0,1|1,0,1]=4 293 B13R1.91 CSc1cccnc1NC(=O)CF f039d8e7a6a5b8c2c0bee56b47aa1f8a [0,1,0,0,0,1|2,0,0]=4 294 B13R1.91 CSc1cccnc1NC(=O)CO 995274e7d7be339bf2ab2b247ab8db84 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.91 CSc1cccnc1NC(=O)CS 245603da78170a606d81815af6901a6f [0,1,0,0,0,1|2,0,0]=4 296 B13R1.91 C[C@H](C=O)Nc1nccnc1CO 94e95d1419b7c424da28cf135add5b03 [0,1,0,0,0,1|1,0,1]=4 297 B13R1.91 O=C(CF)Nc1cccnc1CCl 944a0b4532720da59e9ba368a3447e27 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.91 O=C(CF)Nc1cccnc1CO 8cf0669b9ae2e9672140d9f491b8181f [0,1,0,0,0,1|2,0,0]=4 299 B13R1.91 O=C(CF)Nc1ncccc1CCl bdac9080a772e6557b0fdbcacb30692d [0,1,0,0,0,1|2,0,0]=4 300 B13R1.91 O=C(CF)Nc1ncccc1CO 2b91a58bcb98858396f15be67c7d3283 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.91 O=C(CF)Nc1nccnc1CO 802d6a1f6e3b1e19baa00ec794d2f14c [0,1,0,0,0,1|1,0,0]=3 302 B13R1.91 O=C(CO)Nc1cccnc1CCl 1606d04929e965ff01abd2a18fb793c9 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.91 O=C(CO)Nc1cccnc1CO f81ef2dbf6a660059da474a2e4aaa590 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.91 O=C(CO)Nc1ncccc1CCl 7af4dd19e13061696b78be834fbdb2f2 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.91 O=C(CO)Nc1ncccc1CO de38aaf051172f195eb39a8ffeb4050a [0,1,0,0,0,1|2,0,0]=4 306 B13R1.91 O=C(CO)Nc1nccnc1CO ac939c8c2d63fa63160981be37e64c16 [0,1,0,0,0,1|1,0,0]=3 307 B13R1.91 O=C(CS)Nc1cccnc1CO 315652bfa55d0daec289d2cd0f30b9dd [0,1,0,0,0,1|2,0,0]=4 308 B13R1.91 O=C(CS)Nc1ncccc1CCl aa6cdf96ff7d11843d0941aff40810ee [0,1,0,0,0,1|2,0,0]=4 309 B13R1.91 O=C(CS)Nc1ncccc1CO 3be6c67103e0bb0a704009e19cba1491 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.91 O=C(CS)Nc1nccnc1CO 2496a62257b4002e81b64fbc6028396c [0,1,0,0,0,1|1,0,0]=3 311 B13R1.91 O=CC(=O)Nc1nccnc1CO a7c82bb88c4d05221807afccad0832f7 [0,1,0,0,0,1|1,0,1]=4 312 B13R1.91 O=Cc1nccnc1NC(=O)CF 584167e5468d9cba34deca9812a52709 [0,1,0,0,0,1|1,0,1]=4 313 B13R1.91 O=Cc1nccnc1NC(=O)CO 6a9ad174f9f05e67075d3b477125158b [0,1,0,0,0,1|1,0,1]=4 314 B13R1.91 O=Cc1nccnc1NC(=O)CS b2153187badcf07fcbfe7e72caa7a40a [0,1,0,0,0,1|1,0,1]=4 315 B13R1.115 CC(=O)Nc1nccc(c1CO)C 6a742c8f6af96bc7a4f05add7d1afa76 [0,1,0,0,0,1|2,0,0]=4 316 B13R1.115 CCc1c(cccc1NC(=O)C)C 00426dce30f893a0583409109635f7c3 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.115 COc1c(ccnc1NC(=O)C)Br eb8754b285ed7dbec2a682c8911e5e31 [0,1,0,0,0,1|2,0,0]=4 318 B13R1.115 COc1c(ccnc1NC(=O)C)Cl c0f84a60a5ece583b2212444184ae2bc [0,1,0,0,0,1|2,0,0]=4 319 B13R1.115 COc1c(ccnc1NC(=O)C)F ddfc3da2a3802fd6bfddf461f836a903 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.380 CC(=O)Nc1ccccc1CCO 10f7ba5ec6fd93611f9efdc50300951b [0,1,0,0,0,1|2,0,0]=4 321 B13R1.380 CC(=O)Nc1cccnc1CC#N 196a579f0cd3e922da0bc562a7c04464 [0,1,0,0,0,1|1,0,1]=4 322 B13R1.380 CC(=O)Nc1cccnc1OCF faee9e604cec95cf2eec13e994460084 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.380 CC(=O)Nc1ncccc1CC#N 768467b44b97da62bedc4410ac2650d9 [0,1,0,0,0,1|1,0,1]=4 324 B13R1.380 CC(=O)Nc1ncccc1CCO cc9d555d298e7ea401732680886f32bb [0,1,0,0,0,1|1,0,0]=3 325 B13R1.380 CC(=O)Nc1ncccc1OCF 5c2245bee1d0db76078231793fe0321d [0,1,0,0,0,1|2,0,0]=4 326 B13R1.380 CCCc1ccccc1NC(=O)C 09351bca62d61502b82b209581183fed [0,1,0,0,0,1|2,0,0]=4 327 B13R1.380 CCNc1ccccc1NC(=O)C 5b4671084459f10e97c66dab5eba3347 [0,1,0,0,0,1|2,0,0]=4 328 B13R1.380 CCNc1cccnc1CC(=O)O d48614421576bed9eaa7d5241dcf844a [0,1,0,0,0,1|2,0,0]=4 329 B13R1.380 CCNc1ncccc1CC(=O)O d3ef194577cba11cefc2d5fd159fe57e [0,1,0,0,0,1|2,0,0]=4 330 B13R1.380 CCOc1ccccc1NC(=O)C 4f19c357000f4380ad1f2539ac8d922f [0,1,0,0,0,1|2,0,0]=4 331 B13R1.380 CCOc1cccnc1CC(=O)O 6a7d10be0c8f77306ec933a2eb371a42 [0,1,0,0,0,1|2,0,0]=4 332 B13R1.380 CCOc1cccnc1NC(=O)C 05a0cff10c907608c682a58069821033 [0,1,0,0,0,1|1,0,0]=3 333 B13R1.380 CCOc1ncccc1NC(=O)C 693bfc3277b2f6ec49bc66225c3771a1 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.380 CCOc1nccnc1CC(C)C 79d3d634421ecc7f4564bba36b7dcf3d [0,1,0,0,0,1|1,0,1]=4 335 B13R1.380 CCOc1nccnc1NC(=O)C a3760ec50f89d17a1e221135993cf3a4 [0,1,0,0,0,1|0,0,0]=2 336 B13R1.380 CCOc1nccnc1NC(C)C 59a56646d997ed7486d476a9609bc455 [0,1,0,0,0,1|1,0,1]=4 337 B13R1.380 CCOc1ncncc1NC(=O)C 691dca0de8778e84f44012f3bf597d65 [0,1,0,0,0,1|2,0,0]=4 338 B13R1.380 CCSc1ccccc1NC(=O)C 479b1f19ceb95c4814cb9f90ff9564a6 [0,1,0,0,0,1|2,0,0]=4 339 B13R1.380 COCc1ccccc1NC(=O)C 6e44e10d2b643e2da02f069dcd8746b3 [0,1,0,0,0,1|2,0,0]=4 340 B13R1.380 CSCc1ccccc1NC(=O)C e08707d4039a4e4b1f68131dd7dddac1 [0,1,0,0,0,1|2,0,0]=4 341 B13R1.589 CC(=O)Nc1ccccc1C(C)C 76801c84e62571f56407572133cf897e [0,1,0,0,0,1|2,0,0]=4 342 B13R1.589 CC(=O)Nc1ccccc1C(C)O 5340e9a868cadce4d2cde854f22ba6a6 [0,1,0,0,0,1|2,0,0]=4 343 B13R1.589 CC(=O)Nc1cccnc1C(=O)C 840cbe6643d19f2620d0dc5d296e3f9c [0,1,0,0,0,1|1,0,1]=4 344 B13R1.589 CC(=O)Nc1cccnc1C(C)C ae36370b65f5e5f78aa86cb6285e6ae3 [0,1,0,0,0,1|1,0,0]=3 345 B13R1.589 CC(=O)Nc1cccnc1C(F)F d19fe675e71f0c921c258084e545d2e7 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.589 CC(=O)Nc1cncnc1C(C)C c304e640f56f224557f1b72bf2f5774a [0,1,0,0,0,1|2,0,0]=4 347 B13R1.589 CC(=O)Nc1ncccc1C(=O)C a6101688b7f475bf4cfd74fc4dbc6696 [0,1,0,0,0,1|1,0,1]=4 348 B13R1.589 CC(=O)Nc1ncccc1C(C)C 6c951ab7f6259dce614d73bd775b8d36 [0,1,0,0,0,1|1,0,0]=3 349 B13R1.589 CC(=O)Nc1ncccc1C(F)F d9bd31db3c350bbe9297505d23fccf8d [0,1,0,0,0,1|2,0,0]=4 350 B13R1.589 CC(=O)Nc1ncccc1N(C)C 378d82dbadc272423cbb3e5604104332 [0,1,0,0,0,1|2,0,0]=4 351 B13R1.589 CC(=O)Nc1nccnc1C(=O)C 73d96f658a7223fb5a61f1d2c9bf0958 [0,1,0,0,0,1|0,0,1]=3 352 B13R1.589 CC(=O)Nc1nccnc1C(=O)N ace64b26c55a2f28338d3ae69cea994f [0,1,0,0,0,1|1,0,1]=4 353 B13R1.589 CC(=O)Nc1nccnc1C(=S)N 5a79a01ddea29e8b36021c3ed4df60f2 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.589 CC(=O)Nc1nccnc1C(C)C be0d1fe40595c44d4e5700557cdcef3e [0,1,0,0,0,1|0,0,0]=2 355 B13R1.589 CC(=O)Nc1nccnc1N(C)C a9a9d0ed04c3a1382fefd503bebe1462 [0,1,0,0,0,1|1,0,0]=3 356 B13R1.589 CC(=O)Nc1nnccc1C(C)C 8e6302b831386634e8890af35daf650d [0,1,0,0,0,1|2,0,0]=4 357 B13R1.589 CC(C)Nc1nccnc1C(C)C 3d8ba764e61eb7ee3ff3d395a7b66d9a [0,1,0,0,0,1|1,0,1]=4 358 B13R1.589 CC(C)Oc1nccnc1C(C)C 69ad07b1b5476cc059375cb230b474c5 [0,1,0,0,0,1|1,0,1]=4 359 B13R1.622 CCc1nccnc1NC(C)(C)C 523a19ac007a2793bf1c2404f1414191 [0,1,0,0,0,1|1,0,1]=4 360 B13R1.2135 CCc1cccc(c1NC(=O)C)C 8c5cfc1fa355c6a1f2d1dd6e0d2ad0af [0,1,0,0,0,1|2,0,0]=4 361 B13R1.2135 CCc1cccc(c1NC(=O)C)O f5c871b18575fafc646578f87605d546 [0,1,0,0,0,1|2,0,0]=4 362 B13R1.2135 CCc1nccc(c1NC(=O)C)C e388ae28c539c66c125daea3e54d707e [0,1,0,0,0,1|1,0,0]=3 363 B13R1.2135 COc1nccc(c1NC(=O)C)C 3edc2318a30494dd1791eb569240014f [0,1,0,0,0,1|2,0,0]=4 364 B13R1.2135 COc1nccc(c1NC(=O)C)F d43f455389ddd32b07ae0ea7184e9f19 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.2135 COc1nccc(c1NC(=O)C)O 17fbd4ff1bf2d3a8f97b03cc1c9d4d36 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.3089 CC(=O)Nc1cc(cnc1CO)F aca256b9b9d116c46a56aff21a6d6d6c [0,1,0,0,0,1|2,0,0]=4 367 B13R1.3089 CC(=O)Nc1nc(cnc1C=O)Cl 0eb7078450ef1b7e5d9a8840800744d8 [0,1,0,0,0,1|1,0,1]=4 368 B13R1.3089 CCc1ccc(cc1NC(=O)C)Cl d159020e555dca8ab1d97cba11a58710 [0,1,0,0,0,1|2,0,0]=4 369 B13R1.3089 CCc1ccc(nc1NC(=O)C)C 521355b447a99b20e94bcdeac3077b99 [0,1,0,0,0,1|1,0,0]=3 370 B13R1.141 CC(=O)c1cc(cnc1NCF)Br 4c59ca4e1fefc079f773a98480ffe373 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.141 CC(=O)c1cc(cnc1NCO)Br f867b252727e61a7ea78733afa0510f4 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.141 CC(=O)c1nc(ccc1NCF)Cl 44a434e10fa961d78f82bc22b4cc416e [0,2,0,0,0,0|2,0,0]=4 373 B13R1.141 CC(=O)c1nc(ccc1NCO)Cl 3ee356948a3afbcc10eb6091f16d61ff [0,2,0,0,0,0|2,0,0]=4 374 B13R1.141 CC(=O)c1nc(cnc1NC#N)C 651013de7fd9236bdd14ae39f8caf3c3 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.141 CC(=O)c1nc(cnc1NC=O)Br 871bfa372dcfc87214f8127d4597a15f [0,2,0,0,0,0|1,0,1]=4 376 B13R1.141 CC(=O)c1nc(cnc1NC=O)Cl e9a29738583669af8adc3c5ad49447cf [0,2,0,0,0,0|1,0,1]=4 377 B13R1.141 CC(=O)c1nc(cnc1NCF)Br 2c458c1285f5e7f9bd5e483621b27dd0 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.141 CC(=O)c1nc(cnc1NCF)Cl e74e0693e9c1e7ef41427a2988f70abc [0,2,0,0,0,0|1,0,0]=3 379 B13R1.141 CC(=O)c1nc(cnc1NCO)Br 1a0c85fa0f9321bc10710ce180161b31 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.141 CC(=O)c1nc(cnc1NCO)Cl f9cda8ceaad649c44e435af652257ec5 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.141 CCNc1ccc(cc1C(=O)C)Br 0bbf9a31cd92af0faf10a9b43c1b4933 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.141 CCNc1ccc(cc1C(=O)C)C 8eab6cce5a15a4c1b44f03b010ef9763 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.141 CCNc1ccc(cc1C(=O)C)Cl eafcb830084d26bc51f88a164f3e7ea3 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.141 CCNc1ccc(cc1C(=O)C)F 1842a76d85ffd7c8be7054d08d0ba2a0 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.141 CCNc1ccc(cc1C(=O)C)I 10946f23f1e15d549f1dd37c8bcdd116 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.141 CCNc1ccc(nc1C(=O)C)Cl 465176636053b376e818b8fb3ee41518 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.141 CCNc1ccc(nc1C(=O)N)Br 080e7ffd941768aba7cea8fd9301c711 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.141 CCNc1ccc(nc1C(=O)N)Cl 6cfb2655acfee404d08c77cd204ca11b [0,2,0,0,0,0|2,0,0]=4 389 B13R1.141 CCNc1ccc(nc1C(=O)O)Br 9d35a3c73058bcefa2e2f65990f0b80f [0,2,0,0,0,0|2,0,0]=4 390 B13R1.141 CCNc1ccc(nc1C(=O)O)C 5f62389429d8a5c5744226271182c56a [0,2,0,0,0,0|2,0,0]=4 391 B13R1.141 CCNc1ccc(nc1C(=O)O)Cl ea2ef62d523c81d9e19d56515d65fd61 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.141 CCNc1ncc(cc1C(=O)C)Br da4f7a9ca05add8d951909025eba9316 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.141 CCNc1ncc(cc1C(=O)N)Br f28b31fa17df285fccbf7adeff0cf9eb [0,2,0,0,0,0|2,0,0]=4 394 B13R1.141 CCNc1ncc(cc1C(=O)N)C f31dac4a1581408ca7b1de5924e6e6a0 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.141 CCNc1ncc(cc1C(=O)N)Cl e62d78a953501d5c61a257e1d94fb3fc [0,2,0,0,0,0|2,0,0]=4 396 B13R1.141 CCNc1ncc(cc1C(=O)N)F e1d3171d955db69e40a8a2816a0f6467 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.141 CCNc1ncc(cc1C(=O)N)I 290de6be2b2766c66461566a8929e8c1 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.141 CCNc1ncc(cc1C(=O)O)Br c412cf38237ddab3653420f2d3379ffe [0,2,0,0,0,0|2,0,0]=4 399 B13R1.141 CCNc1ncc(cc1C(=O)O)C 2a75bf38a496b9b7bbeb76dd280946eb [0,2,0,0,0,0|2,0,0]=4 400 B13R1.141 CCNc1ncc(cc1C(=O)O)Cl 892828dd66f35efa0228580ee2ad4723 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.141 CCNc1ncc(cc1C(=O)O)F a1a37c2b3cbf53e5fff65bcd861b9127 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.141 CCNc1ncc(cc1C(=O)O)I b7ace0baf13df59994b5cda99c351feb [0,2,0,0,0,0|2,0,0]=4 403 B13R1.141 CCNc1ncc(nc1C(=O)C)Br 668d7e87cf13cf5e755111cea15d17b0 [0,2,0,0,0,0|0,0,0]=2 404 B13R1.141 CCNc1ncc(nc1C(=O)C)Cl d4f9389f8eeccf1a518385651353b23e [0,2,0,0,0,0|0,0,0]=2 405 B13R1.141 CCNc1ncc(nc1C(=O)N)Br d1f928645ec6321ce5fe70736fab68ac [0,2,0,0,0,0|1,0,0]=3 406 B13R1.141 CCNc1ncc(nc1C(=O)N)Cl 516a7964ec318c4c46838b63bd16e320 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.141 CCNc1ncc(nc1C(=O)O)Br d097b54838103af129122582a3d3ec25 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.141 CCNc1ncc(nc1C(=O)O)C baca946d7ee168248e507db63422806d [0,2,0,0,0,0|1,0,0]=3 409 B13R1.141 CCNc1ncc(nc1C(=O)O)Cl 819b90404f0dc9c92f490eb9e2476d36 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.141 CCNc1ncc(nc1C(=O)O)I d698adb70b93e6479e5527b06789a15f [0,2,0,0,0,0|1,0,0]=3 411 B13R1.141 CCNc1ncc(nc1N(C)C)Br db0524f34a750106927e08e200edd368 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 5c20cccdc96a43e9f7c8cb62f1a8009b [0,2,0,0,0,0|2,0,0]=4 413 B13R1.141 CCOc1ccc(cc1C(=O)C)C 2d180af207df15116a57ce3172dcdeb6 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 18d9306d20bf6b90ae8041beb3666ef4 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.141 CCOc1ccc(cc1C(=O)C)F 308f0ad6efa0ab8d09c5e2d84db4cc77 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.141 CCOc1ccc(cc1C(=O)C)I 9c529ceca63b2bfea7862bed7f8a07e6 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.141 CCOc1ccc(nc1C(=O)N)Br 40911d45ff315574e1b46b907334b4f8 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.141 CCOc1ccc(nc1C(=O)O)Br 4a48a31b4ed961a251efb5ebe4c9706f [0,2,0,0,0,0|2,0,0]=4 419 B13R1.141 CCOc1ccc(nc1C(=O)O)C 91cc1bb386c4dc9e2cdadef085079228 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.141 CCOc1ccc(nc1C(=O)O)Cl 8dd0bb1fd32e7f64947fcba66b4c18a5 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.141 CCOc1ccc(nc1C(=O)O)F dba80d19da07791c8448c849a538546f [0,2,0,0,0,0|2,0,0]=4 422 B13R1.141 CCOc1cnc(nc1C(=O)C)Cl 6cf28aa92951e22901b00efb9c07ceee [0,2,0,0,0,0|2,0,0]=4 423 B13R1.141 CCOc1ncc(cc1C(=O)O)C ac2802555608fc57c87a945c4318cdc5 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.141 CCOc1ncc(cc1C(=O)O)Cl 0ea17b216ffa83e043d5d1a8b7ce7b51 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.141 CCOc1ncc(cc1C(=O)O)F 9f8785516fa93db9cf89a27b4bf562af [0,2,0,0,0,0|2,0,0]=4 426 B13R1.141 CCOc1ncc(cc1C(=O)O)I a46d1a85d2d7985eee25ffae09f519ab [0,2,0,0,0,0|2,0,0]=4 427 B13R1.141 CCOc1ncc(nc1C(=O)N)Br 8b40b60c145793e08bea9eced87b2793 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.141 CCOc1ncc(nc1C(=O)N)Cl d79d379d8ca335559c97be98206456cc [0,2,0,0,0,0|1,0,0]=3 429 B13R1.141 CCOc1ncc(nc1C(=O)O)Br ef1cd2aedf4aa0b84ce18eac333514c5 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.141 CCOc1ncc(nc1C(C)C)Br 4bc2c35d4cf791f6e04b1ba397812e62 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.141 Cc1cnc(c(n1)C(=O)O)NCF 2f9c8ca2d75ef1bfcb446533843adc8f [0,2,0,0,0,0|2,0,0]=4 432 B13R1.141 Cc1cnc(c(n1)C(=O)O)NCO 9d94eed7ce659358a1a0ee95de4e3b0a [0,2,0,0,0,0|2,0,0]=4 433 B13R1.141 NC(=O)c1nc(cnc1NCF)Br 7d969ca6992b3558428b0d02d4db7c8f [0,2,0,0,0,0|2,0,0]=4 434 B13R1.141 NC(=O)c1nc(cnc1NCF)Cl 066ac863b65db1fa84e85113b5c3aa3f [0,2,0,0,0,0|2,0,0]=4 435 B13R1.141 NC(=O)c1nc(cnc1NCO)Br e2dae69b0577bd5e39ac18eb7b031983 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.141 NC(=O)c1nc(cnc1NCO)Cl 2c64f3eb68afbe796d3566583ff675da [0,2,0,0,0,0|2,0,0]=4 437 B13R1.141 NC(=O)c1nc(cnc1OCF)Br b9bd92bf9597de149d8eac488ae4ce6c [0,2,0,0,0,0|2,0,0]=4 438 B13R1.141 NC(=O)c1nc(cnc1OCF)Cl 17f2f343be0b50c001f2f5f5e8a05148 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.141 O=C(O)c1nc(cnc1NCF)Br fc6b92578cc6e27fe3a3a8e3a5912237 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.141 O=C(O)c1nc(cnc1NCF)Cl 2e27e4033238d639c9582e2031e1b991 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.141 O=C(O)c1nc(cnc1NCF)I 5944fdcbb2f3d8e55fe3f20bed3c7f08 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.141 O=C(O)c1nc(cnc1NCO)Br 4d747037aadf6414306c93224445b4b7 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.141 O=C(O)c1nc(cnc1NCO)Cl ea194b42edb2eb839f117256292f009b [0,2,0,0,0,0|2,0,0]=4 444 B13R1.141 O=C(O)c1nc(cnc1NCO)I 829c59b1f85029eac923da3a9fc75116 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.141 O=C(O)c1nc(cnc1OCF)Br 0484821bfe57e0fc6d1a4db4c4952bef [0,2,0,0,0,0|2,0,0]=4 446 B13R1.356 CC(=O)c1ccc(nc1NCF)C 9ec27d34d4bf4b17eb324aa7ef886292 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.356 CC(=O)c1ccc(nc1NCF)Cl 8b2aba71848f745083602959ec724428 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.356 CC(=O)c1ccc(nc1NCO)C a95000c9abb5ef47cf5ccf2aabb1c92e [0,2,0,0,0,0|2,0,0]=4 449 B13R1.356 CC(=O)c1ccc(nc1NCO)Cl e4fcfd0fae0690b68175b0d1c231f96a [0,2,0,0,0,0|2,0,0]=4 450 B13R1.356 CC(=O)c1ccc(nc1OCF)Cl 025c1496628d66943427044b2a3f7352 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.356 CC(=O)c1ncc(cc1NCF)Br a2027932b116b3b4f838bab9d3fe405a [0,2,0,0,0,0|2,0,0]=4 452 B13R1.356 CC(=O)c1ncc(cc1NCF)F 6b8428c856a5af0f378dedd950a4a6a0 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.356 CC(=O)c1ncc(cc1NCO)Br 68614e4bde8bd63ce940e222fd451f7f [0,2,0,0,0,0|2,0,0]=4 454 B13R1.356 CC(=O)c1ncc(cc1NCO)F a4f5b36dc727a02351be3653438697ff [0,2,0,0,0,0|2,0,0]=4 455 B13R1.356 CC(=O)c1ncc(cc1OCF)Br 415795ed561207c6242974d44e49e0ca [0,2,0,0,0,0|2,0,0]=4 456 B13R1.356 CC(=O)c1ncc(nc1NC#N)C d20234a4c53ce89dd0bf64a040df28a6 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.356 CC(=O)c1ncc(nc1NC=O)Cl 33aece3c8056fac89da7d9c9f052739d [0,2,0,0,0,0|1,0,1]=4 458 B13R1.356 CC(=O)c1ncc(nc1NCF)Cl e6ce61a9f99dc0c59aa2049b8ef9a0fc [0,2,0,0,0,0|1,0,0]=3 459 B13R1.356 CC(=O)c1ncc(nc1NCO)Cl a9a69a5c72da2f248ec12bebabd03d3a [0,2,0,0,0,0|1,0,0]=3 460 B13R1.356 CCNc1cc(ccc1C(=O)C)Br 49261db4536f71a0cebda5d75f541b8c [0,2,0,0,0,0|2,0,0]=4 461 B13R1.356 CCNc1cc(ccc1C(=O)C)C d723e2e792bd8d4af9b10b50d6a79267 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.356 CCNc1cc(ccc1C(=O)C)Cl 531db6c0d059b19cedc97a9b66a47634 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.356 CCNc1cc(ccc1C(=O)C)F 1b0e3b56ddd5b4ff23fe85d970fe3ee2 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.356 CCNc1cc(cnc1C(=O)C)Br 00064c6b197a4f75cf46c5592a8f1b71 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.356 CCNc1cc(cnc1C(=O)C)F 1286899cd71f5a2a24307ee7bc24228e [0,2,0,0,0,0|1,0,0]=3 466 B13R1.356 CCNc1cc(cnc1C(=O)N)Br 2da38c73447596a79abd4d225b6dd48d [0,2,0,0,0,0|2,0,0]=4 467 B13R1.356 CCNc1cc(cnc1C(=O)N)C e7ec8a95ea74da6c86bedb11ed02676f [0,2,0,0,0,0|2,0,0]=4 468 B13R1.356 CCNc1cc(cnc1C(=O)N)Cl 3eaca2d35a5de437eb414c020764dcd0 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.356 CCNc1cc(cnc1C(=O)O)Br 683c9a4888db952cb1e11948b531aad8 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.356 CCNc1cc(cnc1C(=O)O)C bf5d0bf575503ffdfbcda52c5cac9c72 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.356 CCNc1cc(cnc1C(=O)O)Cl a5ff53621aa4038256038c5953f0e46d [0,2,0,0,0,0|2,0,0]=4 472 B13R1.356 CCNc1cc(cnc1C(=O)O)F 7310820a09b4899c3fe8768b5c5ed79d [0,2,0,0,0,0|2,0,0]=4 473 B13R1.356 CCNc1nc(ccc1C(=O)C)C 49696712d1a111ae46cf8a1448784754 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.356 CCNc1nc(ccc1C(=O)C)Cl 8e29729562c8aeea68ab58becf77769a [0,2,0,0,0,0|1,0,0]=3 475 B13R1.356 CCNc1nc(ccc1C(=O)N)Br 8f906e093e7a7f87614c9c8e0254f00c [0,2,0,0,0,0|2,0,0]=4 476 B13R1.356 CCNc1nc(ccc1C(=O)N)C 6c6d3b10c5bcd35d5dbed61c99a3abef [0,2,0,0,0,0|2,0,0]=4 477 B13R1.356 CCNc1nc(ccc1C(=O)N)Cl 34265246095455b65c98e2c2d3817c02 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.356 CCNc1nc(ccc1C(=O)O)Br fcacc78b9c0e066c2c77b31667f4be3e [0,2,0,0,0,0|2,0,0]=4 479 B13R1.356 CCNc1nc(ccc1C(=O)O)C d2839d05db5ab2ae9536b748e57fddcd [0,2,0,0,0,0|2,0,0]=4 480 B13R1.356 CCNc1nc(ccc1C(=O)O)Cl bc168573311fb955664ceee5bce8dec7 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.356 CCNc1nc(ccc1C(=O)O)F 26936d1243e135754f2fb6b9224631a9 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.356 CCNc1nc(cnc1C(=O)C)Cl a9259b0552d79cc48f3b3ac1f957774c [0,2,0,0,0,0|0,0,0]=2 483 B13R1.356 CCNc1nc(cnc1C(=O)O)C 0491aae6c59196fd9fb200c027d79d2f [0,2,0,0,0,0|1,0,0]=3 484 B13R1.356 CCNc1nc(cnc1C(=O)O)Cl 112be6d5d0cb698ff4b5641b678586d4 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.356 CCOc1[nH]c(=O)cnc1C(=O)N c9f74510197fa7da9a78b12ff513bb96 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 002173ad504f3b4e97d4838c4af6be91 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.356 CCOc1cc(ccc1C(=O)C)C af8b4c4455170390b9b0afb41c1070ad [0,2,0,0,0,0|2,0,0]=4 488 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl e7e0fd1827ce1daf897240322e6f7586 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.356 CCOc1cc(ccc1C(=O)C)F b41a4326f905a1756250560f67ebcdc7 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.356 CCOc1cc(ccc1C(=O)C)I edd4f7b241ba2e69257c7df5130f31be [0,2,0,0,0,0|2,0,0]=4 491 B13R1.356 CCOc1cc(cnc1C(=O)C)Br 8843d36ae2c3d72a9091948b8ace08f6 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.356 CCOc1cc(cnc1C(=O)N)Br 6718cf38084b56597d61cf08e69aa7c5 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.356 CCOc1cc(cnc1C(=O)O)Br d400504c63580a14458de2074f536575 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.356 CCOc1cc(cnc1C(=O)O)C c28d8b4c852975c07c3b41f208d12c8a [0,2,0,0,0,0|2,0,0]=4 495 B13R1.356 CCOc1cc(cnc1C(=O)O)Cl 61d71e2f22fa14e945227aa5d78efd8e [0,2,0,0,0,0|2,0,0]=4 496 B13R1.356 CCOc1cc(cnc1C(=O)O)F 89495d93c285a2c832a49b4d1c02fa73 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.356 CCOc1nc(ccc1C(=O)C)Cl 717cb91d6fe40f04e9b29cf20cad8898 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.356 CCOc1nc(ccc1C(=O)O)Br a7e0b0eb857af5842bb0fdb1859d3045 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.356 CCOc1nc(ccc1C(=O)O)C 3535b9df29a877f9fe875676edb56412 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.356 CCOc1nc(ccc1C(=O)O)Cl d6eff9debdb564aa00b4a8ff4cbce0fa [0,2,0,0,0,0|2,0,0]=4 501 B13R1.356 Cc1cnc(c(n1)NCF)C(=O)O 01ca730dbe8ab1e70dd3db8844e48d74 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.356 Cc1cnc(c(n1)NCO)C(=O)O 8dfc846375a75c9f989982bc04327dc6 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.356 O=C(O)c1ncc(nc1NCF)Cl fbf82676c0a18707603dc86fdd22cf13 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.356 O=C(O)c1ncc(nc1NCO)Cl 2ee78ca9b69a3bf158bd9a9f58ab09a8 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.381 CCNc1cccnc1S(=O)(=O)C 21dc685b9637dc59320e7e61c349f0a2 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.381 CCNc1ncccc1S(=O)(=O)C 2c546a305e7b646c0ff6737234d38bae [0,2,0,0,0,0|2,0,0]=4 507 B13R1.382 CCN(C)c1nccnc1COC cb993d808626b018e054fc94c4e658f5 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.382 CCNc1ccccc1C(=O)NC 1d45684dba4a2c74e93e59fc4ea7b14e [0,2,0,0,0,0|2,0,0]=4 509 B13R1.382 CCNc1cccnc1C(=O)NO 3f15f829b01da7aebce42c3833447def [0,2,0,0,0,0|2,0,0]=4 510 B13R1.382 CCNc1ccnnc1C(=O)OC ff8307f2862382bf37dc172df8334d2d [0,2,0,0,0,0|2,0,0]=4 511 B13R1.382 CCNc1ncccc1C(=O)NC 63dcbbdb48d93cff1e79655cd639ed39 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.382 CCNc1ncccc1C(=O)OC 47e2ac853770d74bbc5d00b94025acd2 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.382 CCNc1nccnc1C(=O)NC 1ae05a459d76e545cc827fd509d04a3a [0,2,0,0,0,0|0,0,0]=2 514 B13R1.382 CCNc1nccnc1C(=O)OC 0a4efbd2fc274f2ef190492926e81765 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.382 CCNc1ncncc1C(=O)OC a309868488e4541eedea2cedaa436252 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.382 CCNc1nnccc1C(=O)OC f08a16cd12a588ca15bdbd28dfe69097 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.382 CCOc1ccccc1C(=O)CC ef0c7fee6b220c598f975629b3c48aed [0,2,0,0,0,0|2,0,0]=4 518 B13R1.382 CCOc1ccccc1C(=O)NC 000a42c64a7766628d7bd8177f881591 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.382 CCOc1ccccc1C(=O)OC a6efb84491b0b5388501da519c64242f [0,2,0,0,0,0|2,0,0]=4 520 B13R1.382 CCOc1cccnc1C(=O)NC 70f3923ca802d65f4d7ee53de4a3de05 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.382 CCOc1cccnc1C(=O)OC 65955b2ca8bf0034e6735a887553177e [0,2,0,0,0,0|1,0,0]=3 522 B13R1.382 CCOc1nccnc1C(=O)OC a7535b3538a6a087559abb7ec8d7b28a [0,2,0,0,0,0|0,0,0]=2 523 B13R1.382 CCOc1nccnc1N(C)CC 483c80f04bb9982e8530cbd91f901360 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.382 CCOc1ncncc1C(=O)OC 4061463c8dc86fcc1bdf788f55981244 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.382 CNC(=O)c1cccnc1NCF e5629ee5bff829c929755ea33bf36a12 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.382 CNC(=O)c1cccnc1NCO 32e4d5c71fbaca1c7b2a42bbc9c82e7f [0,2,0,0,0,0|2,0,0]=4 527 B13R1.382 CNC(=O)c1ncccc1OCF 321b7148029ac3d29ceed2d67acdf0f4 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.382 CNC(=O)c1nccnc1NC=O 0d1a5eb11f76c29c7cff4eed27bfc5c8 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.382 CNC(=O)c1nccnc1NCF 8d901aa4324b3bc87364aab71e73896b [0,2,0,0,0,0|1,0,0]=3 530 B13R1.382 CNC(=O)c1nccnc1NCO e1459977a90e83fdb0c609e5f3387d1e [0,2,0,0,0,0|1,0,0]=3 531 B13R1.382 COC(=O)c1cccnc1NCF c9305c3404521397e966b596b736a105 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.382 COC(=O)c1cccnc1NCO 30f5feb59d82e0316210c3670255ece4 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.382 COC(=O)c1ncccc1OCF a717651fc5a8bbeaa83750ef2ca9af71 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.382 COC(=O)c1nccnc1NC=O e103157f2748d616fc505493bafaea8d [0,2,0,0,0,0|1,0,1]=4 535 B13R1.382 COC(=O)c1nccnc1NCF 3c374a3fa49416577caf04f2c8f51bd8 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.382 COC(=O)c1nccnc1NCO 23d0df755a4df54d63dc93b77c89a429 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.382 COC(=O)c1nccnc1OCF 33c94322b6b3cd79c8aef9d9901591c2 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.464 C=CCN(C)c1nccnc1CC c2e397c8c5da03e328801ff653289e56 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.464 CCCN(C)c1nccnc1CC 4905a53df3d2801d1bbd4b658f242987 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.464 CCc1ncccc1C(=O)NC#N 1a868e048dd48764eabe952c7c611d02 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.464 CCc1nccnc1N(C)CC#N e14fe4a36615ef116d934c9a86b161f1 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.464 CCc1nccnc1N(C)CCF 952c406125474c1529c8e2540a9d1ada [0,2,0,0,0,0|2,0,0]=4 543 B13R1.464 CCc1nccnc1N(C)CCO 67d111dc97616c11f21d77fb2bd664ea [0,2,0,0,0,0|1,0,1]=4 544 B13R1.464 COc1nccnc1C(=O)NC#N a9c678d1648c775fae33a31f5e0498e6 [0,2,0,0,0,0|1,0,1]=4 545 B13R1.547 C=C(C)c1ncccc1N(C)CC 4f958f802eab9d084c727ac6bcbdbf42 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.547 CCN(C)c1ccccc1C(=O)C 4e22816b55cbe6a26a7b0060b4bc096c [0,2,0,0,0,0|2,0,0]=4 547 B13R1.547 CCN(C)c1cccnc1C(=O)C a1a6d4e4a77f02a8314af98d6d210a68 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.547 CCN(C)c1cncnc1C(=O)C f18955038e455415088e54a25b190520 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.547 CCN(C)c1ncccc1C(=O)C 0ca2fe398e5a4ebe7c7c4489c05f0a04 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.547 CCN(C)c1ncccc1C(=O)N 032c0037cfcc639b76d3a7ee988992aa [0,2,0,0,0,0|2,0,0]=4 551 B13R1.547 CCN(C)c1ncccc1C(=O)O 1495f5897fc8f3208e731eef303446a1 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.547 CCN(C)c1nccnc1C(=O)C 56fa40ed7c6c23c74ac2880e4e7e8bbb [0,2,0,0,0,0|0,0,0]=2 553 B13R1.4012 C=C(C)c1nccc(c1NCC)C 80d6738b0b284dc25f7e568ae314dd94 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.4012 CCNc1c(cccc1C(=O)C)Br 6a94767cd09b86a8914b5bfa844fa585 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.4012 CCNc1c(cccc1C(=O)C)C 8b89edb1e651b81d40a38781b7003656 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.4012 CCNc1c(cccc1C(=O)C)Cl 663ae831b0f81faa5b47a73fecb20662 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.4012 CCNc1c(cccc1C(=O)C)F 1df364c5eebe79d3ff5d2ac5878299ff [0,2,0,0,0,0|2,0,0]=4 558 B13R1.4012 CCNc1c(ccnc1C(=O)O)Br 3308af0fc4635d70ba1b88786e465e88 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.4012 CCNc1c(ccnc1C(=O)O)C aa135e9783ca6c3ef69d84c071adad79 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.4012 CCOc1c(cccc1C(=O)C)Br 68bd0690dfe33df77d3ad139ca7c2b81 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.4012 CCOc1c(cccc1C(=O)C)C f04e180374ffe8a7e76a298137e94424 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl f1627bb6f41e524fe50e8996602f0620 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.4012 CCOc1c(cccc1C(=O)C)F fdafd077744f8e96187edd2634b56c51 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.4012 CCOc1c(ccnc1C(=O)O)C 3533bbf37c1764dc878451127d7d8c69 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.4012 CCOc1c(ccnc1C(=O)O)Cl c6c624da8c42446c4b77e14bd94d3c3d [0,2,0,0,0,0|2,0,0]=4 566 B13R1.4012 CCOc1c(ccnc1C(=O)O)F 2a145a306b5e0dfe707c9fa31fac1c46 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.572 C#CCNc1cccnc1C(=O)C ef7e78088c7116eea569f207b7c31d4b [0,2,0,0,0,0|1,0,1]=4 568 B13R1.572 C#CCNc1ncccc1C(=O)C 64bc01f81924b234e2320f5641653d49 [0,2,0,0,0,0|1,0,1]=4 569 B13R1.572 C#CCNc1nccnc1C(=O)C 5c339fd0cf5f5e32343947ebe925310e [0,2,0,0,0,0|0,0,1]=3 570 B13R1.572 C#CCNc1nccnc1C(=O)N ee4fe7db38b3e8e87a39c8dd46fdd758 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.572 C#CCNc1nccnc1C(=O)O 61a4feb9358aafb0308028683b1908bb [0,2,0,0,0,0|1,0,1]=4 572 B13R1.572 C#CCOc1cccnc1C(=O)C 227d221b7db571985d2c5cd9defcddf6 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.572 C#CCOc1nccnc1C(=O)N 0a37f1b849825bfee5c5d6d5b5dc3ac0 [0,2,0,0,0,0|1,0,1]=4 574 B13R1.572 C#CCOc1nccnc1C(=O)O a37f6540ebd3a01af6b4c1fd7eb44611 [0,2,0,0,0,0|1,0,1]=4 575 B13R1.572 C=CCNc1cccnc1C(=O)C 3479e896727e2bff2a386ba9be540939 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.572 C=CCNc1ncccc1C(=O)C 75a4c9de4701b66022a6829753da792a [0,2,0,0,0,0|1,0,1]=4 577 B13R1.572 C=CCNc1nccnc1C(=O)C 3288352b19f06c53e0a9f797b845e69c [0,2,0,0,0,0|0,0,1]=3 578 B13R1.572 C=CCNc1nccnc1C(=O)N 784f3eacc17920119b227f2ab891b5c2 [0,2,0,0,0,0|1,0,1]=4 579 B13R1.572 C=CCNc1nccnc1C(=O)O 15d794c7b6adda19c4f2eff041baf70d [0,2,0,0,0,0|1,0,1]=4 580 B13R1.572 C=CCOc1cccnc1C(=O)C 1dfd7c757176214694bcac1175b7f3a2 [0,2,0,0,0,0|1,0,1]=4 581 B13R1.572 C=CCOc1nccnc1C(=O)N 1072f9107ec1a3691c09416e185d086d [0,2,0,0,0,0|1,0,1]=4 582 B13R1.572 C=CCOc1nccnc1C(=O)O c72df74336be663ed5934bfb8a5d780d [0,2,0,0,0,0|1,0,1]=4 583 B13R1.572 CC(=O)c1ccccc1COCF 525880a108f588e4d5900158f71b0804 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.572 CC(=O)c1ccccc1NCCBr 47ad7a476468ea6b53f570b15f2ec0e7 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.572 CC(=O)c1ccccc1NCCF ad9aaa545814e45077c52d01705809f3 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.572 CC(=O)c1ccccc1NCCI 2affef835a5fe4a205015fc78072b602 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.572 CC(=O)c1ccccc1NCCO 76c7e3e98881d711460580069b83e0c6 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.572 CC(=O)c1ccccc1NCCS 3379c6916844588ce242a8735a13e5a4 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.572 CC(=O)c1ccccc1OCCF abe020e9a663a636ea86b43cf5ef0ecc [0,2,0,0,0,0|2,0,0]=4 590 B13R1.572 CC(=O)c1ccccc1OCCS ea525a83701715928ee7d14fc0184dfe [0,2,0,0,0,0|2,0,0]=4 591 B13R1.572 CC(=O)c1cccnc1NCC#N 9b2cbc5bdd142d3bf618a93755490177 [0,2,0,0,0,0|1,0,1]=4 592 B13R1.572 CC(=O)c1cccnc1NCC=O 24312037cad9c2d588d4a04c9420190a [0,2,0,0,0,0|1,0,1]=4 593 B13R1.572 CC(=O)c1cccnc1NCCBr c5a34bed10613acaa800951a1f8dbe01 [0,2,0,0,0,0|1,0,0]=3 594 B13R1.572 CC(=O)c1cccnc1NCCF 55da265423be8403c27bf58e063a7570 [0,2,0,0,0,0|1,0,0]=3 595 B13R1.572 CC(=O)c1cccnc1NCCI 93e1581f8ccb2544a23bea3312e870e6 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.572 CC(=O)c1cccnc1NCCO e22b0554cfba5ad8546accae47b76367 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.572 CC(=O)c1cccnc1NCCS 6246a05f0225ccbacc5906b01ee3a941 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.572 CC(=O)c1cncnc1NCCF 8b5a4a61d47be7cbc46f3ea91d57b777 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.572 CC(=O)c1cncnc1NCCO af17c07efbf973592ca8673b0d13df95 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.572 CC(=O)c1cncnc1NCCS 0ac4ae7be8b4af972e9c8f97e4ca74e2 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.572 CC(=O)c1ncccc1NCC#N 693ef824a4bbdc78d8a5c47c962cc95a [0,2,0,0,0,0|1,0,1]=4 602 B13R1.572 CC(=O)c1ncccc1NCC=O a2814658790dddb0fcc4d95cef57427b [0,2,0,0,0,0|1,0,1]=4 603 B13R1.572 CC(=O)c1ncccc1NCCBr b1231dc312678cd8953816dd6669b1a2 [0,2,0,0,0,0|1,0,0]=3 604 B13R1.572 CC(=O)c1ncccc1NCCF 1d377bf6c1fae9c909489e8571b4accd [0,2,0,0,0,0|1,0,0]=3 605 B13R1.572 CC(=O)c1ncccc1NCCI bae9c8686385748872acba43716c573b [0,2,0,0,0,0|1,0,0]=3 606 B13R1.572 CC(=O)c1ncccc1NCCO 1165c8b69f8d45f8250bd4349b204221 [0,2,0,0,0,0|1,0,0]=3 607 B13R1.572 CC(=O)c1ncccc1NCCS 974c088c16b0a204c1a759a73b9f73f2 [0,2,0,0,0,0|1,0,0]=3 608 B13R1.572 CC(=O)c1ncccc1OCC#N 80dcba2190fdefccb9b1baa4dcbd3de8 [0,2,0,0,0,0|1,0,1]=4 609 B13R1.572 CC(=O)c1ncccc1OCC=O 2de8ecd00c348ad4d9c88df658bd7da4 [0,2,0,0,0,0|1,0,1]=4 610 B13R1.572 CC(=O)c1ncccc1OCCF 04c67ddabb59182ef7ca09ad9de02ab1 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.572 CC(=O)c1ncccc1OCCS a5101bc25aedc1e919a557ad80d5625f [0,2,0,0,0,0|1,0,0]=3 612 B13R1.572 CC(=O)c1nccnc1NCC#N 7fd196d8dccdaf7b02c1dabac596671e [0,2,0,0,0,0|0,0,1]=3 613 B13R1.572 CC(=O)c1nccnc1NCC=O e16cb938418626ca44dca1628d6d133d [0,2,0,0,0,0|0,0,1]=3 614 B13R1.572 CC(=O)c1nccnc1NCCBr 5c3b356ebb05a0bffcaccc2d89e94a04 [0,2,0,0,0,0|0,0,0]=2 615 B13R1.572 CC(=O)c1nccnc1NCCF e1c47d6816e878dcc8e21f79fec83a0a [0,2,0,0,0,0|0,0,0]=2 616 B13R1.572 CC(=O)c1nccnc1NCCI 7a7facff0977f5aebef0b8bea8f3fbc1 [0,2,0,0,0,0|0,0,0]=2 617 B13R1.572 CC(=O)c1nccnc1NCCO 54550b887996cc253d14ceb798d779ac [0,2,0,0,0,0|0,0,0]=2 618 B13R1.572 CC(=O)c1nccnc1NCCS 788f42680a16fca8c7a9f214cddad4ed [0,2,0,0,0,0|0,0,0]=2 619 B13R1.572 CC(=O)c1ncncc1NCCBr b2c790fa414ed0e55df888055ae2417c [0,2,0,0,0,0|2,0,0]=4 620 B13R1.572 CC(=O)c1ncncc1NCCF 3c2a46ae5859b28c53630128fafd9181 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.572 CC(=O)c1ncncc1NCCI 5c2992a5e344566f6abe37bc957e20f1 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.572 CC(=O)c1ncncc1NCCO 3a75696873689cf29de195d209131c94 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.572 CC(=O)c1ncncc1NCCS e57de118af3ab668007f5b0d5db0413c [0,2,0,0,0,0|2,0,0]=4 624 B13R1.572 CC(C)c1nccnc1NCCBr 9e3a6ad71ae1174f7a0a2fb8959a5f0d [0,2,0,0,0,0|1,0,1]=4 625 B13R1.572 CC(C)c1nccnc1NCCF 7532caf855d3077a2dd5d432352b0c10 [0,2,0,0,0,0|1,0,1]=4 626 B13R1.572 CC(C)c1nccnc1NCCO fb0c9729be5e144ded52569c1a6c428a [0,2,0,0,0,0|1,0,1]=4 627 B13R1.572 CC(C)c1nccnc1NCCS 94525f3eb29dd37cea406cc1b469cf6d [0,2,0,0,0,0|1,0,1]=4 628 B13R1.572 CC(C)c1nccnc1OCCF 8d0b7eeeff1025667b3b3dbfc15b12ca [0,2,0,0,0,0|1,0,1]=4 629 B13R1.572 CC(C)c1nccnc1OCCS 6c63806dc7f5201c2610efafef67ec3b [0,2,0,0,0,0|1,0,1]=4 630 B13R1.572 CCCNc1ccccc1C(=O)C a1ccd8dce55221e7a56ce1fe67495857 [0,2,0,0,0,0|2,0,0]=4 631 B13R1.572 CCCNc1cccnc1C(=O)C 95d2977c20201e04007ecfa80538bd5c [0,2,0,0,0,0|1,0,0]=3 632 B13R1.572 CCCNc1cccnc1C(=O)N 0960418f51c2912b3305195fad584b71 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.572 CCCNc1cccnc1C(=O)O 59fa18a94ac5a599c6370dced0b8e9c5 [0,2,0,0,0,0|2,0,0]=4 634 B13R1.572 CCCNc1cncnc1C(=O)C e17f595d69aa1ded43f53c857d94281f [0,2,0,0,0,0|2,0,0]=4 635 B13R1.572 CCCNc1ncccc1C(=O)C 3df21cb5df6775724ee8ab8844675659 [0,2,0,0,0,0|1,0,0]=3 636 B13R1.572 CCCNc1ncccc1C(=O)N fe18176d887ecc922a657f3b802f2086 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.572 CCCNc1ncccc1C(=O)O 4466e81f6fff93a0fb77732fa8f9ec95 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.572 CCCNc1nccnc1C(=O)C fe55a0cc9ddca851632a6ec11a900e36 [0,2,0,0,0,0|0,0,0]=2 639 B13R1.572 CCCNc1nccnc1C(=O)N 52c75605b19a145d9f988a301f81272d [0,2,0,0,0,0|1,0,0]=3 640 B13R1.572 CCCNc1nccnc1C(=O)O 2e6d2bf42149bf3c9b559ed5050fca07 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.572 CCCNc1nccnc1C(=S)N 49e52ecfd46baa06dfcaac04f061eac4 [0,2,0,0,0,0|1,1,0]=4 642 B13R1.572 CCCNc1nccnc1C(C)C 827abb219200c12b4c3c06f751b89a74 [0,2,0,0,0,0|1,0,1]=4 643 B13R1.572 CCCNc1nccnc1N(C)C 40b0b71e29e1033457931e281bbd367d [0,2,0,0,0,0|2,0,0]=4 644 B13R1.572 CCCNc1ncncc1C(=O)C ce7f3dfeeca221539e1cafcb6ff10bf3 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.572 CCCNc1nncnc1C(=O)O 3ed18dfcc1d12dd93e649e77f09ae27a [0,2,0,0,0,0|2,0,0]=4 646 B13R1.572 CCCOc1ccccc1C(=O)C 5c5470d42b1afab73d58c7bd88b1439a [0,2,0,0,0,0|2,0,0]=4 647 B13R1.572 CCCOc1cccnc1C(=O)C 283aef20c2ed6d4470e3601787e42b8b [0,2,0,0,0,0|1,0,0]=3 648 B13R1.572 CCCOc1cccnc1C(=O)N 929380184634412dcd33877025f50ed7 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.572 CCCOc1cccnc1C(=O)O 506fa8b0e5f4b703ec63e2bc1b393ce4 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.572 CCCOc1ncccc1C(=O)N 732c25cae80aaf692ac5ac3eb3d9e59b [0,2,0,0,0,0|2,0,0]=4 651 B13R1.572 CCCOc1ncccc1C(=O)O 9597079a4bd0f3d4c6c92ecbc5ece688 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.572 CCCOc1nccnc1C(=O)N 9a8ea63ddd4fc56c88ad32a6d99a8588 [0,2,0,0,0,0|1,0,0]=3 653 B13R1.572 CCCOc1nccnc1C(=O)O 4f82446dbe870b5fb0cdf0f69f72295c [0,2,0,0,0,0|1,0,0]=3 654 B13R1.572 CCCOc1nccnc1C(C)C e3a335a347964ab2ded2db0739271e54 [0,2,0,0,0,0|1,0,1]=4 655 B13R1.572 CCOCc1ccccc1C(=O)C b49756f0ba3ffa85b7b541a83fbdc971 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.572 CN(C)c1nccnc1NCCF d83896dd9c686ade4e1aca076588104a [0,2,0,0,0,0|2,0,0]=4 657 B13R1.572 CN(C)c1nccnc1NCCO 35119485453933751f0cc3d6d3e139e7 [0,2,0,0,0,0|2,0,0]=4 658 B13R1.572 CN(C)c1nccnc1NCCS 1a75b9f6fb2dc6ece28081b15a43245d [0,2,0,0,0,0|2,0,0]=4 659 B13R1.572 COCNc1ccccc1C(=O)C 0062a6f5ac925d3202bbac08e0f24862 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.572 COCNc1cccnc1C(=O)C 7a26c5af1462dcc655cb3a9f615b6958 [0,2,0,0,0,0|1,0,0]=3 661 B13R1.572 COCNc1cccnc1C(=O)N 141f30c7c407f573ebb4129cad8b2b9e [0,2,0,0,0,0|2,0,0]=4 662 B13R1.572 COCNc1cccnc1C(=O)O 87c5866233f2c05c4e3b344a68afdb0d [0,2,0,0,0,0|2,0,0]=4 663 B13R1.572 COCNc1ncccc1C(=O)C 496771fe60e702a4fb92e6c0e7e92739 [0,2,0,0,0,0|1,0,0]=3 664 B13R1.572 COCNc1ncccc1C(=O)N 1b672dcf82fb530559c8b7312c546fe0 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.572 COCNc1ncccc1C(=O)O 4ae1d2bc8e01c85f459bfc0a13c2f155 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.572 COCNc1nccnc1C(=O)C 5951b7351aedee3298d877f3db4ff908 [0,2,0,0,0,0|0,0,0]=2 667 B13R1.572 COCNc1nccnc1C(=O)N 49eb8643c99d1d0400a788eac56b0599 [0,2,0,0,0,0|1,0,0]=3 668 B13R1.572 COCNc1nccnc1C(=O)O a510926942ac69ed9b96a13beb0e3879 [0,2,0,0,0,0|1,0,0]=3 669 B13R1.572 COCNc1nccnc1C(=S)N 81ad302cd11c35d44f933730365b3099 [0,2,0,0,0,0|1,1,0]=4 670 B13R1.572 COCNc1nccnc1C(C)C 2fad78a77a54c8484fd30143ef30ab9b [0,2,0,0,0,0|1,0,1]=4 671 B13R1.572 COCNc1nccnc1N(C)C 484512de1068e2c5510361825233b683 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.572 COCNc1ncncc1C(=O)C 7c9f5a334f1685d01cc8cb0595ec3ce9 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.572 COCNc1nncnc1C(=O)O 8b5ac176e73676112db079458b7fe125 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.572 COCOc1ccccc1C(=O)C 615975da8410b8017d6dd7944e6812ce [0,2,0,0,0,0|2,0,0]=4 675 B13R1.572 COCOc1cccnc1C(=O)C 5fd33fa4f6ff036748eb709fbf34befc [0,2,0,0,0,0|1,0,0]=3 676 B13R1.572 COCOc1cccnc1C(=O)N f6fbda417b8c99f400a103204d547c08 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.572 COCOc1cccnc1C(=O)O 245c37148b541ef8ffb78b8b146d6cd7 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.572 COCOc1ncccc1C(=O)N 48e9da344d2c883f310bf3d5d1eb4c22 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.572 COCOc1ncccc1C(=O)O 2e1840b70011bd710896b605d9a32f57 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.572 COCOc1nccnc1C(=O)N 26db4696a87b330b45b977236b4d9986 [0,2,0,0,0,0|1,0,0]=3 681 B13R1.572 COCOc1nccnc1C(=O)O b00a667c2e2812e4e2d95a00a36e1ab9 [0,2,0,0,0,0|1,0,0]=3 682 B13R1.572 COCOc1nccnc1C(C)C 0b5d75edfa1a21de84492f9282522abe [0,2,0,0,0,0|1,0,1]=4 683 B13R1.572 CSCNc1ccccc1C(=O)C b014b02dc44cdc2338ce264a98b7f561 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.572 CSCNc1cccnc1C(=O)C 275d2aa2afd9479837cb1eb942d74a93 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.572 CSCNc1cccnc1C(=O)N cd0ca5ca4c0f5c47f89cf0d69cdec47c [0,2,0,0,0,0|2,0,0]=4 686 B13R1.572 CSCNc1cccnc1C(=O)O 361bf72554b571bb4cd620019d9e0a09 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.572 CSCNc1ncccc1C(=O)C cce98ae1e12f39868afeef534a176f53 [0,2,0,0,0,0|1,0,0]=3 688 B13R1.572 CSCNc1ncccc1C(=O)N 9d9d523156db1fb857a81f12fbb5d6fd [0,2,0,0,0,0|2,0,0]=4 689 B13R1.572 CSCNc1ncccc1C(=O)O a88ca2133b9817e936372a55f13360c4 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.572 CSCNc1nccnc1C(=O)C 258a8b6fe0edfde6e0f8edd0a9be8b05 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.572 CSCNc1nccnc1C(=O)N b9c31621740c25cc0be348f2a699d62b [0,2,0,0,0,0|1,0,0]=3 692 B13R1.572 CSCNc1nccnc1C(=O)O 0c4913bdce2798d52fb74b74f3764df7 [0,2,0,0,0,0|1,0,0]=3 693 B13R1.572 CSCNc1nccnc1C(=S)N c1c924bc50e059f00e010549cb9a89ec [0,2,0,0,0,0|1,1,0]=4 694 B13R1.572 CSCNc1nccnc1C(C)C 44632723864819077e97c2d92e447f11 [0,2,0,0,0,0|1,0,1]=4 695 B13R1.572 CSCNc1nccnc1N(C)C a37a2addbce5654f58970160352b4585 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.572 CSCNc1ncncc1C(=O)C 36fe4b4866fd85eefad2e68893177af0 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.572 CSCNc1nncnc1C(=O)O 8cafa936cee5d48a53913e5a2ef737af [0,2,0,0,0,0|2,0,0]=4 698 B13R1.572 CSCOc1ccccc1C(=O)C 40fd62ccd4807858d596f32664240127 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.572 CSCOc1cccnc1C(=O)C 694a2cf12ca7d96c772ffe67b6d64d4e [0,2,0,0,0,0|1,0,0]=3 700 B13R1.572 CSCOc1cccnc1C(=O)N 538acc64c32b482194281e789eccc8f3 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.572 CSCOc1cccnc1C(=O)O e00d1bb621e3d61fb57d5ece58f0f140 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.572 CSCOc1ncccc1C(=O)N 4828d38e7f8b62b825845f2f03105b7a [0,2,0,0,0,0|2,0,0]=4 703 B13R1.572 CSCOc1ncccc1C(=O)O 7d56abc0ce157007fd1053cbf60f3970 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.572 CSCOc1nccnc1C(=O)N 1dc714ad4dd38af9346afa31d1d3efd8 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.572 CSCOc1nccnc1C(=O)O 2e1044c0a4ef13a50252fe7c1f89f08c [0,2,0,0,0,0|1,0,0]=3 706 B13R1.572 CSCOc1nccnc1C(C)C 40f68053062cca8906cf9844f8302f21 [0,2,0,0,0,0|1,0,1]=4 707 B13R1.572 N#CCNc1nccnc1C(=O)N c73b2ad84f5f2e04761c1df7b41ccd70 [0,2,0,0,0,0|1,0,1]=4 708 B13R1.572 N#CCNc1nccnc1C(=O)O bb67c1d7b61e319643d18bed9cb96941 [0,2,0,0,0,0|1,0,1]=4 709 B13R1.572 N#CCOc1nccnc1C(=O)N 55a883b540ea511d0af73818cb64623c [0,2,0,0,0,0|1,0,1]=4 710 B13R1.572 N#CCOc1nccnc1C(=O)O 1191468dfc15cfaf08b184440234f293 [0,2,0,0,0,0|1,0,1]=4 711 B13R1.572 NC(=O)c1cccnc1NCCBr 49d99f7429135401458978669234a38b [0,2,0,0,0,0|2,0,0]=4 712 B13R1.572 NC(=O)c1cccnc1NCCF fe05c6ed9f2a2c3ba0d0be4b8668fe17 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.572 NC(=O)c1cccnc1NCCI 73ea5a795ddb0f6ba51fbfcdd592cd03 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.572 NC(=O)c1cccnc1NCCO 51aa5e877640e9c4fba7426fff0d7fea [0,2,0,0,0,0|2,0,0]=4 715 B13R1.572 NC(=O)c1cccnc1NCCS 13ab49fcaf3581f3e785df1edf882e25 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.572 NC(=O)c1cccnc1OCCF d567799d4cd50009c7f514fdb770984b [0,2,0,0,0,0|2,0,0]=4 717 B13R1.572 NC(=O)c1cccnc1OCCS b985da0c9936c73dd0c916ee272adefe [0,2,0,0,0,0|2,0,0]=4 718 B13R1.572 NC(=O)c1ncccc1NCCF 5ced991bb1813fb6bb22485b9a2e6873 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.572 NC(=O)c1ncccc1NCCO e925a7419c82b66ed3848a2b9d3c67bb [0,2,0,0,0,0|2,0,0]=4 720 B13R1.572 NC(=O)c1ncccc1NCCS a43b7364ef363b490c34822074a31bed [0,2,0,0,0,0|2,0,0]=4 721 B13R1.572 NC(=O)c1ncccc1OCCF a2ad9da4ea142fc29310e4451ad50995 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.572 NC(=O)c1ncccc1OCCS ec66a5c8968a71637a204a60562ea6df [0,2,0,0,0,0|2,0,0]=4 723 B13R1.572 NC(=O)c1nccnc1NCC=O 2363508ecc45bfd6e6b85b35185c9cd0 [0,2,0,0,0,0|1,0,1]=4 724 B13R1.572 NC(=O)c1nccnc1NCCBr acc14053f3efe54f1d71e89bb86afeb3 [0,2,0,0,0,0|1,0,0]=3 725 B13R1.572 NC(=O)c1nccnc1NCCF d0ffd9c1dec687cdd6983ef1d3dcf9d3 [0,2,0,0,0,0|1,0,0]=3 726 B13R1.572 NC(=O)c1nccnc1NCCI 2f5e1ad3f7ec7f1b15664fbb9630ffa8 [0,2,0,0,0,0|1,0,0]=3 727 B13R1.572 NC(=O)c1nccnc1NCCO 92ba7bfe02d66b20a5c0544a9e2f5622 [0,2,0,0,0,0|1,0,0]=3 728 B13R1.572 NC(=O)c1nccnc1NCCS f459e8cae1b9db2e707f8ccd50d61902 [0,2,0,0,0,0|1,0,0]=3 729 B13R1.572 NC(=O)c1nccnc1OCC=O e3cf81da49e818191c85a75837ff0066 [0,2,0,0,0,0|1,0,1]=4 730 B13R1.572 NC(=O)c1nccnc1OCCF 88673b309e1cf181458c526259f45d1d [0,2,0,0,0,0|1,0,0]=3 731 B13R1.572 NC(=O)c1nccnc1OCCS 49df219484172a0d7b5d4e82ae568e76 [0,2,0,0,0,0|1,0,0]=3 732 B13R1.572 NC(=S)c1nccnc1NCCF fe1c4955a6681da1f4bb9656f60d0def [0,2,0,0,0,0|1,1,0]=4 733 B13R1.572 NC(=S)c1nccnc1NCCO 88bdfa4e201f22d85a7c4dc10086d501 [0,2,0,0,0,0|1,1,0]=4 734 B13R1.572 NC(=S)c1nccnc1NCCS 42e06729e464a0eec5f4fc65d97b26d9 [0,2,0,0,0,0|1,1,0]=4 735 B13R1.572 O=C(O)c1cccnc1NCCF 6b43facfd0373dbbc3143190062d44d4 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.572 O=C(O)c1cccnc1NCCO 58640cc7963a4270d04eea7e2b51dea0 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.572 O=C(O)c1cccnc1NCCS cc43d84d0ec437f4a55b74dcb801d81c [0,2,0,0,0,0|2,0,0]=4 738 B13R1.572 O=C(O)c1cccnc1OCCF 47f8f867de0137029648b93ec64fe845 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.572 O=C(O)c1cccnc1OCCS 4961e280acd8aed4f4dac0bff3d9d9f7 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.572 O=C(O)c1ncccc1NCCF 1a893e4de782f51580d8acbae1cce6a0 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.572 O=C(O)c1ncccc1NCCO ba270accc0f0248aed486f80f18c70e7 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.572 O=C(O)c1ncccc1NCCS 09b7a9ad55dfa0d420e59b8abb0a556e [0,2,0,0,0,0|2,0,0]=4 743 B13R1.572 O=C(O)c1ncccc1OCCF 83cad43dbfb18fd162102a13c113253f [0,2,0,0,0,0|2,0,0]=4 744 B13R1.572 O=C(O)c1ncccc1OCCS 22d21df56de098492ba2185080e6be38 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.572 O=C(O)c1nccnc1NCCF a9d3b432bdb9a57a892e46fd9a4c90cd [0,2,0,0,0,0|1,0,0]=3 746 B13R1.572 O=C(O)c1nccnc1NCCO 01636add74a582252e6cfc66341300ad [0,2,0,0,0,0|1,0,0]=3 747 B13R1.572 O=C(O)c1nccnc1NCCS 8ea4070dfdeac504f021c4d44c437650 [0,2,0,0,0,0|1,0,0]=3 748 B13R1.572 O=C(O)c1nccnc1OCCF b3ddc3cb2752c05dd1fd6b8f429278cc [0,2,0,0,0,0|1,0,0]=3 749 B13R1.572 O=C(O)c1nccnc1OCCS 0e66f03cfe14b9b5e16735c4386c9941 [0,2,0,0,0,0|1,0,0]=3 750 B13R1.572 O=C(O)c1ncnnc1NCCF b2c1a166f9a8b1cce4760d41f91ea3db [0,2,0,0,0,0|2,0,0]=4 751 B13R1.572 O=C(O)c1ncnnc1NCCO 44a660e54387345ab8d6fb7aeedfc6a7 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.572 O=C(O)c1ncnnc1NCCS 04664ed1ab77502a609743552e4f3025 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.572 O=CCNc1nccnc1C(=O)O 52acc52b3985f320ed374d2a33b1e2f1 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.572 O=CCOc1nccnc1C(=O)O b63824c5e723a4efccee2430993c39b1 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.2897 CCNc1cccc(c1C(=O)C)Br 4e12fdf5a50c3d1b978587399de46f2e [0,2,0,0,0,0|2,0,0]=4 756 B13R1.2897 CCNc1cccc(c1C(=O)C)Cl 996002b4d37458fdaafb7096ba968d57 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.2897 CCNc1cccc(c1C(=O)C)F 26ec9cede4b8cec4c41a0ad865cf7bf5 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.2897 CCNc1nccc(c1C(=O)O)C 68d1a7aaf18e1eb8a7c96dc802af715f [0,2,0,0,0,0|2,0,0]=4 759 B13R1.2897 CCNc1nccc(c1C(=O)O)Cl 6a4cc31ecd438f0adf519fb774c42b07 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.2897 CCOc1cccc(c1C(=O)C)Br bf5a9d7c023723055607dde1032a19a6 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.2897 CCOc1cccc(c1C(=O)C)C 214848e59ec3cfa1c5cdd765a1e9e13b [0,2,0,0,0,0|2,0,0]=4 762 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 3bcae275b1a38242c54986bd72dbaa37 [0,2,0,0,0,0|2,0,0]=4 763 B13R1.2897 CCOc1cccc(c1C(=O)C)F 40a4e5cab42e31d7940218112ddf4716 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.2897 CCOc1nccc(c1C(=O)O)C 03535e179bf013ea5f38ed0b0018cf3d [0,2,0,0,0,0|2,0,0]=4 765 B13R1.2897 CCOc1nccc(c1C(=O)O)Cl 67ba0f962ad5d05de990c8ae74beafc1 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.2897 CCOc1nccc(c1C(=O)O)F 1256f32145daf9b8cdb1b252da430d01 [0,2,0,0,0,0|2,0,0]=4 767 B13R2.72 CC(=O)N1CCc2c1cccc2 06be9692527493672f216ca7cabc8bee [0,0,0,1,0,1|2,0,0]=4 768 B13R2.72 CC(=O)N1CCc2c1cccn2 cace13d03125c22f0b076fa307071656 [0,0,0,1,0,1|1,0,0]=3 769 B13R2.72 CC(=O)N1CCc2c1nccc2 a50667ae9032d1830af5e23281a81a70 [0,0,0,1,0,1|1,0,0]=3 770 B13R2.72 CC(=O)N1CCc2c1nccn2 ef49b0853e146abf21112fc3fd70e4ef [0,0,0,1,0,1|0,0,0]=2 771 B13R2.72 CC(=O)N1CCc2c1ncnc2 6bd20886c2a25dfeedc18fe2f157dc15 [0,0,0,1,0,1|2,0,0]=4 772 B13R2.72 CC(C)N1CCc2c1nccn2 fda165b87175b3b2af0807f5a678c8eb [0,0,0,1,0,1|1,0,1]=4 773 B13R2.621 CCc1nccnc1NC2CC2 731e10752db36e151d42c5b35911781e [0,0,0,1,0,1|1,0,1]=4 774 B13R2.1613 O=CN1CCCc2c1cccn2 030cfb291d92dfaec48d7c2a8d3a23d3 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.1613 O=CN1CCCc2c1nccc2 68e1bff45a88589dacf1fe508688a563 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.268 CCNc1nccnc1C2CC2 53fa8b1f0366ceed1928182bc0eade85 [0,1,0,1,0,0|1,0,1]=4 777 B13R1.90 C=C(Br)CNc1nccnc1CC 567dd8acb7e1ae90c2d047795c5b30f7 [0,0,0,0,0,2|1,0,1]=4 778 B13R1.90 C=C(C)CNc1cccnc1CC f0e0f4ced3d4e6cac2d4777c348dcb6a [0,0,0,0,0,2|2,0,0]=4 779 B13R1.90 C=C(C)CNc1ncccc1CC 1f371d7bd1adc676542a6679829927ba [0,0,0,0,0,2|2,0,0]=4 780 B13R1.90 C=C(C)CNc1nccnc1CC e15bd38845cfce3af8ec215d8caec2ba [0,0,0,0,0,2|1,0,0]=3 781 B13R1.90 C=C(C)CNc1nccnc1CO 0681f196011a78e0d6c892300e5cc35d [0,0,0,0,0,2|2,0,0]=4 782 B13R1.90 C=C(C)CNc1nccnc1OC c3fef3a4f52eb0f9987a2d30c9b5d3da [0,0,0,0,0,2|2,0,0]=4 783 B13R1.90 C=C(C)COc1cccnc1CC 8d65c479c0ad68a206b11138884a32de [0,0,0,0,0,2|2,0,0]=4 784 B13R1.90 C=C(C)COc1ncccc1CC a435eea59707a101707f9be8f3aad45b [0,0,0,0,0,2|2,0,0]=4 785 B13R1.90 C=C(Cl)CNc1nccnc1CC a006cf70f5ef93c5ab100d048fbcead7 [0,0,0,0,0,2|1,0,1]=4 786 B13R1.90 C=C(F)CNc1nccnc1CC 13726b0e95b724308d6f4865f372cf4e [0,0,0,0,0,2|1,0,1]=4 787 B13R1.90 CC(=O)CNc1ncccc1CO 3af224fae02f22903304fb615e80f6eb [0,0,0,0,0,2|2,0,0]=4 788 B13R1.90 CC(=O)CNc1nccnc1C=O 1472f8b4fa40039861ed67701672cc98 [0,0,0,0,0,2|1,0,1]=4 789 B13R1.90 CC(=O)CNc1nccnc1CO 482606d219190e49f97d74fc7120979b [0,0,0,0,0,2|1,0,0]=3 790 B13R1.90 CCc1ccccc1CNC(=O)C d053c2bb1b04d680b3d776c54ab04071 [0,0,0,0,0,2|2,0,0]=4 791 B13R1.90 CCc1ccccc1NCC(=O)C 0f9cc5653eae74a60a0ab8752496d10e [0,0,0,0,0,2|2,0,0]=4 792 B13R1.90 CCc1cccnc1NCC(=O)C 97229857b9648fa109bdf0a8adcfee51 [0,0,0,0,0,2|1,0,0]=3 793 B13R1.90 CCc1cccnc1NCC(=O)N fb24485e90075b7e1c14de4d07f0698e [0,0,0,0,0,2|2,0,0]=4 794 B13R1.90 CCc1cccnc1NCC(=O)O 382e8cdb7afad0471a258b980b1a1a9d [0,0,0,0,0,2|2,0,0]=4 795 B13R1.90 CCc1cccnc1OCC(=O)N 31c87270ca4c912fe7925839dc21f038 [0,0,0,0,0,2|2,0,0]=4 796 B13R1.90 CCc1cccnc1OCC(=O)O f337eab7927d566e5ead3e5fb922d69b [0,0,0,0,0,2|2,0,0]=4 797 B13R1.90 CCc1cncnc1NCC(=O)C a4281edce6042e0631d8c8f9b94404e3 [0,0,0,0,0,2|2,0,0]=4 798 B13R1.90 CCc1ncccc1NCC(=O)N 3c502ee5570fc03933026980931f5615 [0,0,0,0,0,2|2,0,0]=4 799 B13R1.90 CCc1ncccc1NCC(=O)O 9c7af0c586aa85c7b303c9c616a48f6d [0,0,0,0,0,2|2,0,0]=4 800 B13R1.90 CCc1ncccc1OCC(=O)N 7401c6fcc60003b353f0d2a8624e753b [0,0,0,0,0,2|2,0,0]=4 801 B13R1.90 CCc1ncccc1OCC(=O)O 6713ec293878f4edc46378ea3c91b9ec [0,0,0,0,0,2|2,0,0]=4 802 B13R1.90 CCc1nccnc1NCC(=O)C 974f4b054fcfa3b5ee249dba2de9e2aa [0,0,0,0,0,2|0,0,0]=2 803 B13R1.90 CCc1nccnc1NCC(=O)N b53c5bb5e22b1537c0b0c71e3cbd7034 [0,0,0,0,0,2|1,0,0]=3 804 B13R1.90 CCc1nccnc1NCC(=O)O 679539943182f751a97ed1451a5c185e [0,0,0,0,0,2|1,0,0]=3 805 B13R1.90 CCc1nccnc1NCC(C)C 9895f5617163bf93052bed7ece01ba88 [0,0,0,0,0,2|1,0,1]=4 806 B13R1.90 CCc1nccnc1NCC(C)O e70cfad5ae399f535f8df3d153b1b3a7 [0,0,0,0,0,2|0,0,2]=4 807 B13R1.90 CCc1nccnc1NCN(C)C 58e2681ad45de7de90eea5dcd983e370 [0,0,0,0,0,2|2,0,0]=4 808 B13R1.90 CCc1nccnc1NC[C@@H](C)O a5ff250ede9ead30a547acc8152ba60e [0,0,0,0,0,2|0,0,2]=4 809 B13R1.90 CCc1nccnc1NC[C@H](C)O 5ac226d26ec1a15bc7b40a579c38482a [0,0,0,0,0,2|0,0,2]=4 810 B13R1.90 CCc1nccnc1NC[N+](=O)[O-] b852fe425896055d316c9166d871d01a [0,0,0,0,0,2|2,0,0]=4 811 B13R1.90 COc1cccnc1CNC(=O)C b053264ad6738024082a80d38762d460 [0,0,0,0,0,2|2,0,0]=4 812 B13R1.90 COc1cccnc1NCC(=O)C 54f18a470efaa72c6f3dba2f96ba0ea8 [0,0,0,0,0,2|2,0,0]=4 813 B13R1.90 COc1ncccc1CNC(=O)C d00640bdf49e71b2253b712c9b73432b [0,0,0,0,0,2|2,0,0]=4 814 B13R1.90 COc1ncccc1NCC(=O)C d54ae8bd889d240e8e8eba0886c799e8 [0,0,0,0,0,2|2,0,0]=4 815 B13R1.90 COc1nccnc1CNC(=O)C 8b9fe3c743b863e54487ee66da6ec309 [0,0,0,0,0,2|1,0,0]=3 816 B13R1.90 COc1nccnc1NCC(=O)C 80b92787c0b2459d66136cd3f54374f7 [0,0,0,0,0,2|1,0,0]=3 817 B13R1.90 COc1nccnc1NCC(=O)N 2701fbeb52ed3fc0be516b513a33d573 [0,0,0,0,0,2|2,0,0]=4 818 B13R1.90 COc1nccnc1NCC(=O)O a0370a5ad80b3809d4d140dcfdae118b [0,0,0,0,0,2|2,0,0]=4 819 B13R1.90 CSc1cccnc1NCC(=O)C d06da310d2517abb75f1187f00522142 [0,0,0,0,0,2|2,0,0]=4 820 B13R1.90 NC(=O)CNc1nccnc1CO ad2c41158822775f2986463a6a383a68 [0,0,0,0,0,2|2,0,0]=4 821 B13R1.90 O=C(O)CNc1nccnc1CO d5edb5a60385a8c4a4892a21606d8f65 [0,0,0,0,0,2|2,0,0]=4