0 B24R3.415242 C=C(Br)CNc1nc(c(o1)c2ccccc2)c3ccccc3 e967965542ea3f5d897ebf54903a2b0b [0,0,0,0,0,0|3,0,0]=3 1 B24R3.415242 C=C(Br)CNc1nc(c(s1)c2ccccc2)c3ccccc3 a727bf8013da9acf6690189ac176e1ac [0,0,0,0,0,0|3,1,0]=4 2 B24R3.415242 C=C(C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 222be1d5948ddf6cca9cec15d9c10887 [0,0,0,0,0,0|3,0,0]=3 3 B24R3.415242 C=C(C)CNc1nc(c(s1)c2ccccc2)c3ccccc3 ea92e4c4581eddb39fdb8ea3a90bf649 [0,0,0,0,0,0|3,1,0]=4 4 B24R3.415242 C=C(Cl)CNc1nc(c(o1)c2ccccc2)c3ccccc3 a6edec871869debae9ced779241e82ff [0,0,0,0,0,0|3,0,0]=3 5 B24R3.415242 C=C(Cl)CNc1nc(c(s1)c2ccccc2)c3ccccc3 c418fdc7121641c0715a0d266f20387c [0,0,0,0,0,0|3,1,0]=4 6 B24R3.415242 C=C(F)CNc1nc(c(o1)c2ccccc2)c3ccccc3 e13509eba9526daf3a088f789941c46b [0,0,0,0,0,0|3,0,0]=3 7 B24R3.415242 C=C(F)CNc1nc(c(s1)c2ccccc2)c3ccccc3 7739919a5d37f7fd29bc739434949f74 [0,0,0,0,0,0|3,1,0]=4 8 B24R3.415242 CC(C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 7a2e887812a0e13d8980e4c54416582d [0,0,0,0,0,0|3,0,1]=4 9 B24R3.415242 CC(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 6e96b64d574ce20c86a1c61af5a34a02 [0,0,0,0,0,0|2,0,1]=3 10 B24R3.415242 CC(O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 f9375010e0e7aed6710825c57084be01 [0,0,0,0,0,0|2,1,1]=4 11 B24R3.415242 CN(C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 4f479da38271c6496e02a642c0a093b6 [0,0,0,0,0,0|4,0,0]=4 12 B24R3.415242 C[C@@H](O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 a84679a19b0fa6b4fba53be581edb6a2 [0,0,0,0,0,0|2,0,1]=3 13 B24R3.415242 C[C@@H](O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 d63aa1214a965a38f7cebc6d7faab76b [0,0,0,0,0,0|2,1,1]=4 14 B24R3.415242 C[C@H](O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 8a9af6e2851ea39cc8da9d19e36eaa22 [0,0,0,0,0,0|2,0,1]=3 15 B24R3.415242 C[C@H](O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 4119a91997979a9f3d38670d2c90eae1 [0,0,0,0,0,0|2,1,1]=4 16 B24R3.415242 FC(F)CNc1nc(c(o1)c2ccccc2)c3ccccc3 e9a7322792dd6910cbceb960be04d563 [0,0,0,0,0,0|3,0,1]=4 17 B24R3.415242 NC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 1b05e80788b420574fdbf085b418d18a [0,0,0,0,0,0|2,0,0]=2 18 B24R3.415242 NC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 3c11a27563f813f8e6266b7579628ff1 [0,0,0,0,0,0|2,1,0]=3 19 B24R3.415242 O=C(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 3278aaf5d696fd49d7a73c05e04cb9bc [0,0,0,0,0,0|1,0,0]=1 20 B24R3.415242 O=C(O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 b04d1ca2f4cc89b8b3e8aef2e5c1148f [0,0,0,0,0,0|1,1,0]=2 21 B24R3.415242 O=[N+]([O-])CNc1nc(c(o1)c2ccccc2)c3ccccc3 7d13eb29a7daa1284d4d0308d9a8c22a [0,0,0,0,0,0|2,0,1]=3 22 B24R3.415242 O=[N+]([O-])CNc1nc(c(s1)c2ccccc2)c3ccccc3 f05848e509e55c977d1bf09e69cd171f [0,0,0,0,0,0|2,1,1]=4 23 B23R3.65179 C#CCNc1nc(c(o1)c2ccccc2)c3ccccc3 372433309b83364857cd4271cec199c5 [1,0,0,0,0,0|2,0,1]=4 24 B23R3.65179 C=CCNc1nc(c(o1)c2ccccc2)c3ccccc3 07b3fc814a67e238b9cb3dd110c0f30c [1,0,0,0,0,0|2,0,0]=3 25 B23R3.65179 C=CCNc1nc(c(s1)c2ccccc2)c3ccccc3 0093dd6850a6bdd72cb9084232de3b43 [1,0,0,0,0,0|2,1,0]=4 26 B23R3.65179 CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 eb70d7838c40befbf430e7f130694b52 [1,0,0,0,0,0|2,0,1]=4 27 B23R3.65179 COCNc1nc(c(o1)c2ccccc2)c3ccccc3 af1fa32ace975c398f201de73f037976 [1,0,0,0,0,0|3,0,0]=4 28 B23R3.65179 CSCNc1nc(c(o1)c2ccccc2)c3ccccc3 a7f72780f437a8a393f7a8770be682b8 [1,0,0,0,0,0|3,0,0]=4 29 B23R3.65179 FCCNc1nc(c(o1)c2ccccc2)c3ccccc3 7fc04155a3d2d8511d70387489364343 [1,0,0,0,0,0|2,0,1]=4 30 B23R3.65179 N#CCNc1nc(c(o1)c2ccccc2)c3ccccc3 d5ef6d0df743ea388cc363d4dc464b72 [1,0,0,0,0,0|2,0,1]=4 31 B23R3.65179 O=CCNc1nc(c(o1)c2ccccc2)c3ccccc3 a267c3df37919c4a87681e7e11aa3a1f [1,0,0,0,0,0|1,0,0]=2 32 B23R3.65179 O=CCNc1nc(c(s1)c2ccccc2)c3ccccc3 6671c94502382e4b5ce858355fbb6738 [1,0,0,0,0,0|1,1,0]=3 33 B23R3.65179 OCCNc1nc(c(o1)c2ccccc2)c3ccccc3 ff6c05fcf2fa0e6a3da6442ca84ebe44 [1,0,0,0,0,0|1,0,1]=3 34 B23R3.65179 OCCNc1nc(c(s1)c2ccccc2)c3ccccc3 d218643c501a534d848be609373a9757 [1,0,0,0,0,0|1,1,1]=4 35 B23R3.65179 SCCNc1nc(c(o1)c2ccccc2)c3ccccc3 f0807d954c1a74e51b4661e67f59f300 [1,0,0,0,0,0|1,1,1]=4 36 B25R3.135537 C=C(C#N)CNc1nc(c(o1)c2ccccc2)c3ccccc3 a689e5bc10f9cf63d54685f8edadb719 [0,1,0,0,0,0|3,0,0]=4 37 B25R3.135537 C=C(CC)CNc1nc(c(o1)c2ccccc2)c3ccccc3 3f9876981f051533d5decc72e6ccaf44 [0,1,0,0,0,0|3,0,0]=4 38 B25R3.135537 C=C(CNc1nc(c(o1)c2ccccc2)c3ccccc3)OC 49384b362e7b6695de9c1365b73f30fa [0,1,0,0,0,0|2,0,0]=3 39 B25R3.135537 C=C(CNc1nc(c(s1)c2ccccc2)c3ccccc3)OC 1ea142dc6e3449acd4549a66ca2b146c [0,1,0,0,0,0|2,1,0]=4 40 B25R3.135537 C=C(CO)CNc1nc(c(o1)c2ccccc2)c3ccccc3 c517b4c46b2546dca8c6c8f57647a029 [0,1,0,0,0,0|2,0,0]=3 41 B25R3.135537 C=C(CO)CNc1nc(c(s1)c2ccccc2)c3ccccc3 ce1dfe48286c1f563ccd83910de9bd72 [0,1,0,0,0,0|2,1,0]=4 42 B25R3.135537 CC(CO)CNc1nc(c(o1)c2ccccc2)c3ccccc3 39ea313f2e7aafcd3a1b575ea45c3cb8 [0,1,0,0,0,0|2,0,1]=4 43 B25R3.135537 CCC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 dfdbc09e4839da2f38389a6be5e10df4 [0,1,0,0,0,0|2,0,0]=3 44 B25R3.135537 CCC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 76ae27dd0e326383fa676a61f81211d9 [0,1,0,0,0,0|2,1,0]=4 45 B25R3.135537 CNC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 984f50f83800236465326fe0362fa36f [0,1,0,0,0,0|2,0,0]=3 46 B25R3.135537 CNC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 3aca8f1a696f83bcd5cbb69aa8b7b33d [0,1,0,0,0,0|2,1,0]=4 47 B25R3.135537 COC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 723139a8a3cba1e642762c0262765cca [0,1,0,0,0,0|1,0,0]=2 48 B25R3.135537 COC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 1a164b79e347b75f8a2d7828f5760a3e [0,1,0,0,0,0|1,1,0]=3 49 B25R3.135537 COC(C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 1ee665ff7edfe21956039e1c924b2d78 [0,1,0,0,0,0|2,0,1]=4 50 B25R3.135537 CO[C@@H](C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 2eb061bc274f1d0646ca97f76e981a8e [0,1,0,0,0,0|2,0,1]=4 51 B25R3.135537 CO[C@H](C)CNc1nc(c(o1)c2ccccc2)c3ccccc3 f01d529f35bec91093352683eeca2624 [0,1,0,0,0,0|2,0,1]=4 52 B25R3.135537 C[C@@H](CO)CNc1nc(c(o1)c2ccccc2)c3ccccc3 68b31ab3e7a7913be8982445ca088a2d [0,1,0,0,0,0|2,0,1]=4 53 B25R3.135537 C[C@H](CO)CNc1nc(c(o1)c2ccccc2)c3ccccc3 443e7638a3dd0485ec843be093973a52 [0,1,0,0,0,0|2,0,1]=4 54 B25R3.135537 Cl/C=C(\Cl)/CNc1nc(c(o1)c2ccccc2)c3ccccc3 21cc5b37024179f3b1a1821b5987d583 [0,1,0,0,0,0|3,0,0]=4 55 B25R3.135537 O=C(CO)CNc1nc(c(o1)c2ccccc2)c3ccccc3 105989d95bab6a2a902642a80f5288e9 [0,1,0,0,0,0|1,0,0]=2 56 B25R3.135537 O=C(CO)CNc1nc(c(s1)c2ccccc2)c3ccccc3 7e5ee13546bca5b148c73d8ea16659d0 [0,1,0,0,0,0|1,1,0]=3 57 B25R3.135537 OC(CF)CNc1nc(c(o1)c2ccccc2)c3ccccc3 270860695a3bf2bb6efa3344fd2dd183 [0,1,0,0,0,0|2,0,1]=4 58 B25R3.135537 OCC(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 fb32d801180f460acad903a9f5f2323b [0,1,0,0,0,0|1,0,2]=4 59 B25R3.135537 OC[C@@H](O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 65c142cc07ad76253b6574fd66f020ae [0,1,0,0,0,0|1,0,2]=4 60 B25R3.135537 OC[C@H](O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 63c5236ee4a4beaa33e1303e4d28a384 [0,1,0,0,0,0|1,0,2]=4 61 B25R3.2066118 CC(=O)C(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 7a9360325821b54dfa6ded91fc4270c5 [0,1,0,0,0,0|2,0,1]=4 62 B25R3.2066118 CC(=O)C(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 cf56a32f0f17b42a9d1881ab51b26bf8 [0,1,0,0,0,0|2,0,0]=3 63 B25R3.2066118 CC(=O)C(C)Nc1nc(c(s1)c2ccccc2)c3ccccc3 bca24d2ff6b31fa215565f5b2d54c322 [0,1,0,0,0,0|2,1,0]=4 64 B25R3.2066118 CC(Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)N dd01d474cd75cb8230f5773524b60bc8 [0,1,0,0,0,0|2,0,0]=3 65 B25R3.2066118 CC(Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 29cd09cfd59e57c8403d129b3f3276d1 [0,1,0,0,0,0|1,0,0]=2 66 B25R3.2066118 CC(Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)N 28d8414c630bd2af7de9590828dcff3e [0,1,0,0,0,0|2,1,0]=4 67 B25R3.2066118 CC(Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O a45eb58f4eea546e086fb6df812db15c [0,1,0,0,0,0|1,1,0]=3 68 B25R3.2066118 C[C@@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)N 1fe242d0a52c493d7ebe4947e7652983 [0,1,0,0,0,0|2,0,0]=3 69 B25R3.2066118 C[C@@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 2d3f1f6ed93b6de45466f01b69f00499 [0,1,0,0,0,0|1,0,0]=2 70 B25R3.2066118 C[C@@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)N 8968e3cc8483fe76d534e45ab7528bbb [0,1,0,0,0,0|2,1,0]=4 71 B25R3.2066118 C[C@@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O 9b00e33051dc9b2fceac6fe351ecca1c [0,1,0,0,0,0|1,1,0]=3 72 B25R3.2066118 C[C@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)N f10853847837d0fd35a10e2f8931f39e [0,1,0,0,0,0|2,0,0]=3 73 B25R3.2066118 C[C@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O e516db57fede88dc16c7f98bdfcf2582 [0,1,0,0,0,0|1,0,0]=2 74 B25R3.2066118 C[C@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)N 6ca6576658bd882a2e19334867ef1378 [0,1,0,0,0,0|2,1,0]=4 75 B25R3.2066118 C[C@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O 2768442307bbd05529493e9c78afaf85 [0,1,0,0,0,0|1,1,0]=3 76 B25R3.2066118 NC(=O)C(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 009993cb71ef3f993a7c276b3321f5ff [0,1,0,0,0,0|2,0,1]=4 77 B25R3.2066118 NC(=O)C(F)Nc1nc(c(o1)c2ccccc2)c3ccccc3 23451e151933775f920395ca1a966813 [0,1,0,0,0,0|2,0,0]=3 78 B25R3.2066118 NC(=O)C(F)Nc1nc(c(s1)c2ccccc2)c3ccccc3 1038f8fdab47cf9590a04949c7fa8aaa [0,1,0,0,0,0|2,1,0]=4 79 B25R3.2066118 O=C(O)C(F)Nc1nc(c(o1)c2ccccc2)c3ccccc3 3431362447d97af4668c01e65bf30070 [0,1,0,0,0,0|1,0,0]=2 80 B25R3.2066118 O=C(O)C(F)Nc1nc(c(s1)c2ccccc2)c3ccccc3 270771dd8e630a53017d774d329e6eaa [0,1,0,0,0,0|1,1,0]=3 81 B25R3.2066118 O=C(O)[C@H](F)Nc1nc(c(o1)c2ccccc2)c3ccccc3 b407dc4be56ad318a8f4c1a16dc7316c [0,1,0,0,0,0|1,0,0]=2 82 B25R3.2066118 O=C(O)[C@H](F)Nc1nc(c(s1)c2ccccc2)c3ccccc3 66077c13e457c7807adf8e3fd2a98958 [0,1,0,0,0,0|1,1,0]=3 83 B25R3.6771621 CC(C)(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 f92c6184fd02c96b2c9e5c12e3905ce1 [0,1,0,0,0,0|2,0,1]=4 84 B25R3.6771621 CS(=O)(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 408ce76ce6f781bca9f8dbd39b57bc5a [0,1,0,0,0,0|2,0,1]=4 85 B25R3.6771621 NS(=O)(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 e9618bbf67b6afb82ece746132778a00 [0,1,0,0,0,0|2,0,1]=4 86 B25R3.6771621 O=S(=O)(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 7ab11ad3d6049a27e31b1072a3e09821 [0,1,0,0,0,0|2,0,0]=3 87 B25R3.6771621 O=S(=O)(O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 9867001cca3bec54aed188df169ca865 [0,1,0,0,0,0|2,1,0]=4 88 B23R2.470525 O=C(O)CCCOC(C(=O)c1ccccc1)c2ccccc2 24648990be529396a5d11f22cfa00592 [0,0,1,0,0,0|1,0,2]=4 89 B23R2.470525 O=C(O)CCCO[C@@H](C(=O)c1ccccc1)c2ccccc2 f3d48bdf59e39cb027aea9fc2b773f92 [0,0,1,0,0,0|1,0,2]=4 90 B23R3.73485 CC(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 a9ba7e001bb143bcc3e21cd093dae7c5 [0,0,0,0,1,0|2,0,0]=3 91 B25R3.27422 CC(=O)CNc1cc(nc(n1)c2ccccc2)c3ccccc3 1e7c103e4e01e15accc459226c393b6e [0,0,0,0,0,1|3,0,0]=4 92 B25R3.27422 NC(=O)CNc1cc(nc(n1)c2ccccc2)c3ccccc3 7bfda030884f7f574da3e7e345bd156e [0,0,0,0,0,1|3,0,0]=4 93 B25R3.27422 NC(=O)CNc1nc(cc(n1)c2ccccc2)c3ccccc3 76390fa57ab28272aa0cf454ef9f264c [0,0,0,0,0,1|3,0,0]=4 94 B25R3.27422 NC(=O)CNc1nc(nc(n1)c2ccccc2)c3ccccc3 e5551e9d5ddd97dee215f865664e201d [0,0,0,0,0,1|3,0,0]=4 95 B25R3.27422 NC(=O)COc1nc(cc(n1)c2ccccc2)c3ccccc3 76203a6c032ac63a645d2fded07e673f [0,0,0,0,0,1|3,0,0]=4 96 B25R3.27422 NC(=O)COc1nc(nc(n1)c2ccccc2)c3ccccc3 3e39daecd14c2a7b4d08dd5e6aafd437 [0,0,0,0,0,1|3,0,0]=4 97 B25R3.27422 O=C(O)CNc1cc(cc(c1)c2ccccc2)c3ccccc3 0a91788426378ff23de70b0c570241f6 [0,0,0,0,0,1|3,0,0]=4 98 B25R3.27422 O=C(O)CNc1nc(cc(n1)c2ccccc2)c3ccccc3 5a8153223f1469ae60d43c64aa794225 [0,0,0,0,0,1|2,0,0]=3 99 B25R3.27422 O=C(O)CNc1nc(nc(n1)c2ccccc2)c3ccccc3 508a180ed47a082a5020ad913abcf71b [0,0,0,0,0,1|2,0,0]=3 100 B25R3.27422 O=C(O)COc1cc(cc(c1)c2ccccc2)c3ccccc3 a9dffe52fb215c8e80c2a42dbd5f54d9 [0,0,0,0,0,1|3,0,0]=4 101 B25R3.27422 O=C(O)COc1nc(cc(n1)c2ccccc2)c3ccccc3 04dd904a0b35be5848ed0a9a14cce032 [0,0,0,0,0,1|2,0,0]=3 102 B25R3.27422 O=C(O)COc1nc(nc(n1)c2ccccc2)c3ccccc3 0faaf66008a4086a4750152e7e397851 [0,0,0,0,0,1|2,0,0]=3 103 B25R3.27440 NC(=O)CNc1cnc(c(n1)c2ccccc2)c3ccccc3 c9056cdd5b95f8b4240181f3b03e5643 [0,0,0,0,0,1|3,0,0]=4 104 B25R3.27440 NC(=O)COc1cnc(c(n1)c2ccccc2)c3ccccc3 7a17ddada72806cc5d10cc84a3a6a3de [0,0,0,0,0,1|3,0,0]=4 105 B25R3.27440 O=C(O)CNc1ccc(c(c1)c2ccccc2)c3ccccc3 de3a63f4d3a135a0d03d39a581647557 [0,0,0,0,0,1|3,0,0]=4 106 B25R3.27440 O=C(O)COc1cnc(c(n1)c2ccccc2)c3ccccc3 c2c2b7adfa301765cca6266ba782ff2f [0,0,0,0,0,1|2,0,0]=3 107 B25R3.3953635 C/C(=C/CNc1nc(c(o1)c2ccccc2)c3ccccc3)/I fa4e0e4afd5358cf5708c997e137c06f [0,0,0,0,0,1|2,0,1]=4 108 B25R3.3953635 C/C(=C\CNc1nc(c(o1)c2ccccc2)c3ccccc3)/Cl 94b7fa88a51335d65b3d301cce68c042 [0,0,0,0,0,1|2,0,1]=4 109 B25R3.3953635 C=C(C)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 fdc972f6f3387bcad369aca5bd38a28b [0,0,0,0,0,1|2,0,0]=3 110 B25R3.3953635 C=C(C)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 5dbfa66cdda1bb4889759f3b4d75776c [0,0,0,0,0,1|2,1,0]=4 111 B25R3.3953635 CC(=CCNc1nc(c(o1)c2ccccc2)c3ccccc3)C 4ecf38f8119430c9c9421fca1fdcdcab [0,0,0,0,0,1|2,0,1]=4 112 B25R3.3953635 CC(=CCNc1nc(c(o1)c2ccccc2)c3ccccc3)Cl 70dbf73792a04affaa80f92fa737be11 [0,0,0,0,0,1|2,0,1]=4 113 B25R3.3953635 CC(=CCNc1nc(c(o1)c2ccccc2)c3ccccc3)I 37142cc0bddddaa3d2fec9f505733142 [0,0,0,0,0,1|2,0,1]=4 114 B25R3.3953635 CC(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 2e7e7b13ec17d72385bde3a02c322052 [0,0,0,0,0,1|1,0,0]=2 115 B25R3.3953635 CC(=O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 3e380a73ef91f72235ce3794570d0833 [0,0,0,0,0,1|1,1,0]=3 116 B25R3.3953635 CC(=O)OCNc1nc(c(o1)c2ccccc2)c3ccccc3 1797c0cd39ca7cac2be10c63af155449 [0,0,0,0,0,1|2,0,0]=3 117 B25R3.3953635 CC(=O)OCNc1nc(c(s1)c2ccccc2)c3ccccc3 1741231f04336c5cf1d06a1dfacf3897 [0,0,0,0,0,1|2,1,0]=4 118 B25R3.3953635 CC(C)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 942df87e23d18563982d1a3d1e2df560 [0,0,0,0,0,1|2,0,1]=4 119 B25R3.3953635 CC(O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 d3a23288fc2f5d6de6042f8e11596b1d [0,0,0,0,0,1|1,0,1]=3 120 B25R3.3953635 CC(O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 74030b4c86d90e14e8fed503b2b79a63 [0,0,0,0,0,1|1,1,1]=4 121 B25R3.3953635 CN(C)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 46c26303e055e180f2e5ede7a0b929da [0,0,0,0,0,1|3,0,0]=4 122 B25R3.3953635 CS(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 1fa378eb59964d47fdfda32c9f39006f [0,0,0,0,0,1|2,0,0]=3 123 B25R3.3953635 CS(=O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 478456ae8d041722b8991d6b07d7ed70 [0,0,0,0,0,1|2,1,0]=4 124 B25R3.3953635 ClC(=CCNc1nc(c(o1)c2ccccc2)c3ccccc3)Cl 4a4b4a2446fe7f341f3f5731fd988f7a [0,0,0,0,0,1|2,0,1]=4 125 B25R3.3953635 NC(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 7ec5196b14741985feb8311b2d6436df [0,0,0,0,0,1|1,0,0]=2 126 B25R3.3953635 NC(=O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 c3580924bd04bd72b5fc436ae9e16389 [0,0,0,0,0,1|1,1,0]=3 127 B25R3.3953635 NC(=O)SCNc1nc(c(o1)c2ccccc2)c3ccccc3 04c6026deac174f050854b6660ede42b [0,0,0,0,0,1|2,0,0]=3 128 B25R3.3953635 NC(=O)SCNc1nc(c(s1)c2ccccc2)c3ccccc3 861e204992f8383d33d24f4701c302ac [0,0,0,0,0,1|2,1,0]=4 129 B25R3.3953635 O=C(O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 18288d62476472666d29632afd85b310 [0,0,0,0,0,1|0,0,0]=1 130 B25R3.3953635 O=C(O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 b881753db72b09d16b2d29baa0cba71c [0,0,0,0,0,1|0,1,0]=2 131 B22R3.25997 CCNc1nc(c(o1)c2ccccc2)c3ccccc3 d6a21c2f787601d6daa40e1727e4e520 [2,0,0,0,0,0|1,0,1]=4 132 B22R3.25997 FCNc1nc(c(o1)c2ccccc2)c3ccccc3 c80435fdba7f6523ea5c7955e501d7a7 [2,0,0,0,0,0|2,0,0]=4 133 B22R3.25997 O=CNc1nc(c(o1)c2ccccc2)c3ccccc3 017ebb1d9f39e2786dd2377a6847be64 [2,0,0,0,0,0|1,0,0]=3 134 B22R3.25997 OCNc1nc(c(o1)c2ccccc2)c3ccccc3 ee69118c0a9a56eff75566a669dc148b [2,0,0,0,0,0|1,0,0]=3 135 B22R3.25997 OCNc1nc(c(s1)c2ccccc2)c3ccccc3 17fe85da5e42f843a88835e6dfc1500b [2,0,0,0,0,0|1,1,0]=4 136 B24R3.121135 C#CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 204a5b045692da5c8467c72a4fe40682 [1,1,0,0,0,0|1,0,1]=4 137 B24R3.121135 C/C=C/CNc1nc(c(o1)c2ccccc2)c3ccccc3 cc869d560ef2e359efa5d2973c470c7a [1,1,0,0,0,0|1,0,1]=4 138 B24R3.121135 C/C=C\CNc1nc(c(o1)c2ccccc2)c3ccccc3 b34809dae75ef81ff61298d0c24e952b [1,1,0,0,0,0|1,0,1]=4 139 B24R3.121135 C=CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 98a6c8d3d156cb229d0dd90b42f427e6 [1,1,0,0,0,0|1,0,0]=3 140 B24R3.121135 C=CCCNc1nc(c(s1)c2ccccc2)c3ccccc3 a983e813b4c45a996732d502cdc2e31c [1,1,0,0,0,0|1,1,0]=4 141 B24R3.121135 CCCCNc1nc(c(o1)c2ccccc2)c3ccccc3 2544c1deaec8285a4e57682e2cca3d98 [1,1,0,0,0,0|1,0,1]=4 142 B24R3.121135 COCCNc1nc(c(o1)c2ccccc2)c3ccccc3 d77d37d35297779e9d5b0c4d7aa69a44 [1,1,0,0,0,0|1,0,1]=4 143 B24R3.121135 CSCCNc1nc(c(o1)c2ccccc2)c3ccccc3 f9082f5e3a36c8d4e4a13acb18e969f1 [1,1,0,0,0,0|2,0,0]=4 144 B24R3.121135 Cl/C=C/CNc1nc(c(o1)c2ccccc2)c3ccccc3 cd2cbc3c10ed8ad50476a74ae857c905 [1,1,0,0,0,0|1,0,1]=4 145 B24R3.121135 Cl/C=C\CNc1nc(c(o1)c2ccccc2)c3ccccc3 b248b365e3c58dba7a0a6da17fbcf35b [1,1,0,0,0,0|1,0,1]=4 146 B24R3.121135 FCCCNc1nc(c(o1)c2ccccc2)c3ccccc3 ca5bb04f950b92019648b25f58056fff [1,1,0,0,0,0|1,0,1]=4 147 B24R3.121135 N#CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 63a7fa62cc63223d9f24d3eb477d16a6 [1,1,0,0,0,0|1,0,1]=4 148 B24R3.121135 O/C=C\CNc1nc(c(o1)c2ccccc2)c3ccccc3 5bdc860ef58b3e72d86375458bc3358c [1,1,0,0,0,0|0,0,1]=3 149 B24R3.121135 O/C=C\CNc1nc(c(s1)c2ccccc2)c3ccccc3 de4e37b71cb42a89c2b35fcae37b0d9e [1,1,0,0,0,0|0,1,1]=4 150 B24R3.121135 O=CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 a1737e450c75eae7a1015fed3c041cd2 [1,1,0,0,0,0|0,0,0]=2 151 B24R3.121135 O=CCCNc1nc(c(s1)c2ccccc2)c3ccccc3 aee1f94db42f4bb1c50382fd82f08863 [1,1,0,0,0,0|0,1,0]=3 152 B24R3.121135 OCCCNc1nc(c(o1)c2ccccc2)c3ccccc3 819ad4996133e5a9cb913bf5514e4e27 [1,1,0,0,0,0|0,0,1]=3 153 B24R3.121135 OCCCNc1nc(c(s1)c2ccccc2)c3ccccc3 dc3fe95b1080803b34d36599235346d9 [1,1,0,0,0,0|0,1,1]=4 154 B24R3.121135 SCCCNc1nc(c(o1)c2ccccc2)c3ccccc3 2fa0d71f061dbd1dc3d39f5035adcb01 [1,1,0,0,0,0|0,1,1]=4 155 B24R3.1091482 C=CC(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 0b1f580814ba0944da19c02bcadf12c9 [1,1,0,0,0,0|2,0,0]=4 156 B24R3.1091482 CC(C=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 bdfb97dfa5d68a28d66b38f76fafa21c [1,1,0,0,0,0|1,0,0]=3 157 B24R3.1091482 CC(C=O)Nc1nc(c(s1)c2ccccc2)c3ccccc3 3a0c955aac9c9ea028b4ceaad7dab768 [1,1,0,0,0,0|1,1,0]=4 158 B24R3.1091482 CC(CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 4ed75cdd53bb11eae360d01e3e920a1b [1,1,0,0,0,0|1,0,1]=4 159 B24R3.1091482 C[C@@H](CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 cbc671d9f6e4a4ed74f31363d7482ed9 [1,1,0,0,0,0|1,0,1]=4 160 B24R3.1091482 C[C@H](C=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 4f37e183f616ac45bd3415376dead01b [1,1,0,0,0,0|1,0,0]=3 161 B24R3.1091482 C[C@H](C=O)Nc1nc(c(s1)c2ccccc2)c3ccccc3 aa3c25955c57bb6aacd5d124d5969b98 [1,1,0,0,0,0|1,1,0]=4 162 B24R3.1091482 C[C@H](CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 4f442c02e355ecf543edd41096625030 [1,1,0,0,0,0|1,0,1]=4 163 B24R3.1091482 O=CC(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 2d0d1922bc2ef337e93cddcaa1ee884f [1,1,0,0,0,0|1,0,1]=4 164 B26R3.1396 COC(=O)CNc1nc(cc(n1)c2ccccc2)c3ccccc3 35e09d6202996a045ac3ee6d615f0493 [0,1,0,0,0,1|2,0,0]=4 165 B26R3.1396 COC(=O)CNc1nc(nc(n1)c2ccccc2)c3ccccc3 de439765bff965da16e788143067216e [0,1,0,0,0,1|2,0,0]=4 166 B26R3.1396 COC(=O)COc1nc(cc(n1)c2ccccc2)c3ccccc3 09489ddd750f473ae53e6afab5ef3a0e [0,1,0,0,0,1|2,0,0]=4 167 B26R3.1396 COC(=O)COc1nc(nc(n1)c2ccccc2)c3ccccc3 7416a1f3fdb574d92e1265920f477943 [0,1,0,0,0,1|2,0,0]=4 168 B26R3.1396 O=C(CNc1cc(nc(n1)c2ccccc2)c3ccccc3)NO dc7e5623a41b536cda3efd56640f0641 [0,1,0,0,0,1|2,0,0]=4 169 B26R3.1396 O=C(CO)CNc1nc(cc(n1)c2ccccc2)c3ccccc3 37919933ded801b74e8ea373863da9f0 [0,1,0,0,0,1|2,0,0]=4 170 B26R3.1396 O=C(CO)CNc1nc(nc(n1)c2ccccc2)c3ccccc3 5338c3429543a1775b86739f586a860a [0,1,0,0,0,1|2,0,0]=4 171 B26R3.7408 CC(Nc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O 41c9e5020f4849203a5029feb03aa4ca [0,1,0,0,0,1|2,0,0]=4 172 B26R3.7408 CC(Oc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O 76bd97debf729da67538ca24851bf25e [0,1,0,0,0,1|2,0,0]=4 173 B26R3.7408 C[C@@H](Nc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O 3b7eb87b6e53aabf84b1e646d06c243f [0,1,0,0,0,1|2,0,0]=4 174 B26R3.7408 C[C@@H](Oc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O be630faddae255dd0c92c42af68efd48 [0,1,0,0,0,1|2,0,0]=4 175 B26R3.7408 C[C@H](Nc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O 86aa9d985378d7f2b54b57bf4cfe34b3 [0,1,0,0,0,1|2,0,0]=4 176 B26R3.7408 C[C@H](Oc1nc(cc(n1)c2ccccc2)c3ccccc3)C(=O)O e4b3263ae831b6aba6d39281bc8750d1 [0,1,0,0,0,1|2,0,0]=4 177 B26R3.7408 O=C(O)C(F)Nc1nc(cc(n1)c2ccccc2)c3ccccc3 52dbda7b3c295f373547015c722247ba [0,1,0,0,0,1|2,0,0]=4 178 B26R3.7408 O=C(O)C(F)Nc1nc(nc(n1)c2ccccc2)c3ccccc3 b0ecf7f1d86391b7fb44da0c9822f5cb [0,1,0,0,0,1|2,0,0]=4 179 B26R3.7408 O=C(O)C(F)Oc1nc(cc(n1)c2ccccc2)c3ccccc3 8984155d37dfd380283938d36d40a87f [0,1,0,0,0,1|2,0,0]=4 180 B26R3.7408 O=C(O)[C@H](F)Nc1nc(cc(n1)c2ccccc2)c3ccccc3 6603e82d75cad37e8518efb4d38eb5c8 [0,1,0,0,0,1|2,0,0]=4 181 B26R3.7408 O=C(O)[C@H](F)Nc1nc(nc(n1)c2ccccc2)c3ccccc3 6fe484272f0a7d547db5b489483efb26 [0,1,0,0,0,1|2,0,0]=4 182 B26R3.7408 O=C(O)[C@H](F)Oc1nc(cc(n1)c2ccccc2)c3ccccc3 cea255128efc9a3a8a0d95eea66e9b0a [0,1,0,0,0,1|2,0,0]=4 183 B26R3.16504344 Cc1ccc(cc1)c2cc(nc(c2)c3ccccc3)NCC(=O)O 51662f85841c1ce17d83d9b09072c5b3 [0,1,0,0,0,1|2,0,0]=4 184 B26R3.1446 COC(=O)COc1cnc(c(n1)c2ccccc2)c3ccccc3 163cfcfbf4944b51446f6f4e3e19904a [0,1,0,0,0,1|2,0,0]=4 185 B26R3.1446 O=C(CNc1cnc(c(n1)c2ccccc2)c3ccccc3)NO e2a27f6942abcfe01d12005f9908ba40 [0,1,0,0,0,1|2,0,0]=4 186 B26R3.7428 CC(Oc1cnc(c(n1)c2ccccc2)c3ccccc3)C(=O)O 7d0d9cc4e1e20fac349cc2d49ec00a7a [0,1,0,0,0,1|2,0,0]=4 187 B26R3.7428 C[C@@H](Oc1cnc(c(n1)c2ccccc2)c3ccccc3)C(=O)O 49c72d6d7324e03e7df222476027558d [0,1,0,0,0,1|2,0,0]=4 188 B26R3.7428 C[C@H](Oc1cnc(c(n1)c2ccccc2)c3ccccc3)C(=O)O 36ba048f6a8ed069745bfcd3a5e5bb40 [0,1,0,0,0,1|2,0,0]=4 189 B26R3.2877583 O=C(O)CNc1nc(c(s1)C(=O)c2ccccc2)c3ccccc3 8de7596b6b507a2d7d854f0ce1ba463b [0,1,0,0,0,1|1,1,0]=4 190 B26R3.611569 CC(CO)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 c323541c23322f7bffae110f495f875f [0,1,0,0,0,1|1,0,1]=4 191 B26R3.611569 CCC(=O)OCNc1nc(c(o1)c2ccccc2)c3ccccc3 75450048fa8e48f80de6173dc78e7f3d [0,1,0,0,0,1|2,0,0]=4 192 B26R3.611569 CCS(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 68249eae198075090845cf848e8bef03 [0,1,0,0,0,1|2,0,0]=4 193 B26R3.611569 CNC(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 b88b0259a21fa845fe06fa9cbd670e07 [0,1,0,0,0,1|1,0,0]=3 194 B26R3.611569 CNC(=O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 22b9f9a87b62df48866a1122638f0836 [0,1,0,0,0,1|1,1,0]=4 195 B26R3.611569 COC(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 f7eae70fc0b704ba270c3fbba4cd40dd [0,1,0,0,0,1|0,0,0]=2 196 B26R3.611569 COC(=O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 5279087c63075d47c67e9416f4a34967 [0,1,0,0,0,1|0,1,0]=3 197 B26R3.611569 COC(=O)OCNc1nc(c(o1)c2ccccc2)c3ccccc3 407bdd1162fa6153380a601f86d12ad9 [0,1,0,0,0,1|1,0,0]=3 198 B26R3.611569 COC(=O)OCNc1nc(c(s1)c2ccccc2)c3ccccc3 17baa4515f2073b6792aa3e4f3804c8a [0,1,0,0,0,1|1,1,0]=4 199 B26R3.4521592 CC(=O)CC(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 ce84a5238b0606cb4a15821b9c56c76a [0,1,0,0,0,1|1,0,1]=4 200 B26R3.4521592 CC(=O)OC(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 67bf10d7b11b823de910c4494b671788 [0,1,0,0,0,1|2,0,0]=4 201 B26R3.4521592 CC(CC(=O)O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 f8d5f2b4e8f48a682d5f033eb625532d [0,1,0,0,0,1|0,0,0]=2 202 B26R3.4521592 CC(CC(=O)O)Nc1nc(c(s1)c2ccccc2)c3ccccc3 10e0349eef79dcba6c910bd81adc4419 [0,1,0,0,0,1|0,1,0]=3 203 B26R3.4521592 NC(=O)CC(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 c210ec765f92c09a07610e6e7561db47 [0,1,0,0,0,1|1,0,1]=4 204 B26R3.4542498 C=C(CNc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 120952df865456f7a9203de10afb1db3 [0,1,0,0,0,1|0,0,1]=3 205 B26R3.4542498 C=C(CNc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O 8e9daec9800d8b4a7102c5d37fbe4b77 [0,1,0,0,0,1|0,1,1]=4 206 B26R3.4542498 CC(=O)C(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 a1f2dbfb872420efcb10f598e0585862 [0,1,0,0,0,1|1,0,1]=4 207 B26R3.4542498 CC(CNc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 5e84e58ebd5660a443ed5d11f8307b5c [0,1,0,0,0,1|0,0,0]=2 208 B26R3.4542498 CC(CNc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O a469fd2a3c03dd65d1a35d495884c8cb [0,1,0,0,0,1|0,1,0]=3 209 B26R3.4542498 O=C(O)C(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 069da435eedae32644d6cef35e3f3280 [0,1,0,0,0,1|0,0,1]=3 210 B26R3.4542498 O=C(O)C(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 4130b7fc1825549549c204d3516bc9f0 [0,1,0,0,0,1|0,1,1]=4 211 B26R3.4542498 O=C(O)C(O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 a78b94d6f1d8515626c5dbfcc4d6c63a [0,1,0,0,0,1|0,0,0]=2 212 B26R3.4542498 O=C(O)C(O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 85787e7feb2cabdb67a449de2be84ab3 [0,1,0,0,0,1|0,1,0]=3 213 B26R3.4542498 O=C(O)[C@@H](O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 3bb791b5e9f16a9737a3691782b352b1 [0,1,0,0,0,1|0,0,0]=2 214 B26R3.4542498 O=C(O)[C@@H](O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 aa55f151a7090ad60edf833f8b6b7207 [0,1,0,0,0,1|0,1,0]=3 215 B26R3.8379720 CC(C)(O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 03239f120e745e4091d41d04b85d9f87 [0,1,0,0,0,1|1,0,1]=4 216 B26R3.8379720 CS(=O)(=O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 3fbb054b7992960f93ac0994bb37b54c [0,1,0,0,0,1|1,0,1]=4 217 B26R3.8379720 O=S(=O)(O)CCNc1nc(c(o1)c2ccccc2)c3ccccc3 05aee1e22af41e77491240e84a42d600 [0,1,0,0,0,1|1,0,0]=3 218 B26R3.8379720 O=S(=O)(O)CCNc1nc(c(s1)c2ccccc2)c3ccccc3 90386ab70de0ee2dd50c2ce3210461a1 [0,1,0,0,0,1|1,1,0]=4 219 B26R3.25857 Cc1ccc(cc1)c2nc(sc2c3ccc(cc3)C)NCC(=O)O ee83a452a65ebb78fc84fe385576d7e6 [0,2,0,0,0,0|1,1,0]=4 220 B26R3.3327786 O=C(O)CNc1nc(c(s1)c2ccccc2Cl)c3ccccc3Cl 3dce67f4ef0b3a7664283436e1a30ebe [0,2,0,0,0,0|1,1,0]=4 221 B26R3.1877037 CCC(=O)C(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 693f3fb65fe1b54d5886737161ad2f0a [0,2,0,0,0,0|2,0,0]=4 222 B26R3.1877037 CNC(=O)C(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 58e47edb519f8ab9197863bf2d632128 [0,2,0,0,0,0|2,0,0]=4 223 B26R3.1877037 COC(=O)C(=O)Nc1nc(c(o1)c2ccccc2)c3ccccc3 e661272c3a4656babfe28a1e5843a48b [0,2,0,0,0,0|1,0,1]=4 224 B26R3.1877037 COC(=O)C(C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 20f8f42f82b3c58fe421ccf9cd81b079 [0,2,0,0,0,0|1,0,0]=3 225 B26R3.1877037 COC(=O)C(C)Nc1nc(c(s1)c2ccccc2)c3ccccc3 6b474e7ee0335e01945e91d1ca5e49c4 [0,2,0,0,0,0|1,1,0]=4 226 B26R3.1877037 COC(=O)[C@@H](C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 dee3cf0c1719bd9483269b82757daaa2 [0,2,0,0,0,0|1,0,0]=3 227 B26R3.1877037 COC(=O)[C@@H](C)Nc1nc(c(s1)c2ccccc2)c3ccccc3 cd809e6e4ea2906c5bf44413855d122b [0,2,0,0,0,0|1,1,0]=4 228 B26R3.1877037 COC(=O)[C@H](C)Nc1nc(c(o1)c2ccccc2)c3ccccc3 21fd8df22b3acffc56798dca9113e6e0 [0,2,0,0,0,0|1,0,0]=3 229 B26R3.1877037 COC(=O)[C@H](C)Nc1nc(c(s1)c2ccccc2)c3ccccc3 c7f670009b05240801f76c951517be14 [0,2,0,0,0,0|1,1,0]=4 230 B26R3.5058727 C=COC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 8bf5ddb3d7617db387e98fb0cee846cf [0,2,0,0,0,0|1,0,0]=3 231 B26R3.5058727 C=COC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 66d3828a8863070ce6b6ae818d58daf0 [0,2,0,0,0,0|1,1,0]=4 232 B26R3.5058727 CCCC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 8d182fb5f968be7ef60786a356ebbbf8 [0,2,0,0,0,0|2,0,0]=4 233 B26R3.5058727 CCNC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 5865bd34b6b5a62fa9b94cec5259e0ae [0,2,0,0,0,0|2,0,0]=4 234 B26R3.5058727 CCOC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 f4bd6150e074116b7b8a50ddb6d79afe [0,2,0,0,0,0|1,0,0]=3 235 B26R3.5058727 CCOC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 cdf5c849d3010a1cd63017830441068f [0,2,0,0,0,0|1,1,0]=4 236 B26R3.5058727 COCC(=O)CNc1nc(c(o1)c2ccccc2)c3ccccc3 99dbd5182bcf08d075d5c69443758779 [0,2,0,0,0,0|1,0,0]=3 237 B26R3.5058727 COCC(=O)CNc1nc(c(s1)c2ccccc2)c3ccccc3 d4219a49f54ffa0a70d90e7ca0fa1df4 [0,2,0,0,0,0|1,1,0]=4 238 B26R3.5058727 N#CNC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 4008426b406fc844c1ad09c983d00fa7 [0,2,0,0,0,0|1,0,0]=3 239 B26R3.5058727 O=C(CNc1nc(c(o1)c2ccccc2)c3ccccc3)NCO c9ad70c40f5128bf31c0011b0bf9f5f9 [0,2,0,0,0,0|1,0,0]=3 240 B26R3.5058727 O=C(CNc1nc(c(s1)c2ccccc2)c3ccccc3)NCO 734c6a01f1faa24d752db8e0f1009272 [0,2,0,0,0,0|1,1,0]=4 241 B26R3.4877981 CCC(Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)N f7049d7a2adc9daa9b030d656d6a76a3 [0,2,0,0,0,0|2,0,0]=4 242 B26R3.4877981 CCC(Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 0fe27149fea476c6c8ce2ec418e80728 [0,2,0,0,0,0|1,0,0]=3 243 B26R3.4877981 CCC(Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O b32c75c484e55e1dd8dbd44f0fe70091 [0,2,0,0,0,0|1,1,0]=4 244 B26R3.4877981 CC[C@@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 652f24b40e1db95b4a0700d82107bd58 [0,2,0,0,0,0|1,0,0]=3 245 B26R3.4877981 CC[C@@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O fb2860d82c89d4d2cc898c8be02e7bfa [0,2,0,0,0,0|1,1,0]=4 246 B26R3.4877981 CC[C@H](Nc1nc(c(o1)c2ccccc2)c3ccccc3)C(=O)O 8b9e583391ed940ef61cf54dcc81818c [0,2,0,0,0,0|1,0,0]=3 247 B26R3.4877981 CC[C@H](Nc1nc(c(s1)c2ccccc2)c3ccccc3)C(=O)O b472449c6c2f0a1eeebc5b8b83f4cbf7 [0,2,0,0,0,0|1,1,0]=4 248 B26R3.4877981 O=C(O)C(CF)Nc1nc(c(o1)c2ccccc2)c3ccccc3 0fe36d39b1de3a68541a5063b97118bf [0,2,0,0,0,0|1,0,0]=3 249 B26R3.4877981 O=C(O)C(CF)Nc1nc(c(s1)c2ccccc2)c3ccccc3 f217628314f5f20be8431c2958df22f6 [0,2,0,0,0,0|1,1,0]=4 250 B26R3.4877981 O=C(O)C(CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 bc826d65ca0347b2f357a2d030a33535 [0,2,0,0,0,0|1,0,0]=3 251 B26R3.4877981 O=C(O)[C@@H](CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 bf0f54876e8d2ff11ae4807c9f3e0f30 [0,2,0,0,0,0|1,0,0]=3 252 B26R3.4877981 O=C(O)[C@H](CO)Nc1nc(c(o1)c2ccccc2)c3ccccc3 f3c11b65a15fee32a755a9705ed2485d [0,2,0,0,0,0|1,0,0]=3 253 B26R3.2446602 N#Cc1c(oc(c1c2ccccc2)c3ccccc3)NCC(=O)O 9b99f58d7891c50ccb99a548796f269d [0,2,0,0,0,0|2,0,0]=4 254 B24R3.65157 O=C(O)CCCNc1c(oc2c1cccc2)c3ccccc3 cfacae41bba6a995df0d514dc0bac655 [0,0,1,1,0,0|0,0,2]=4 255 B26R4.28460541 O=C(O)COc1nnc2c3ccccc3c4ccccc4c2n1 e85d608da781761f85fc8283c05d954e [0,0,0,1,0,1|2,0,0]=4 256 B26R4.114420 O=C1CC(C1)Nc2nc(c(o2)c3ccccc3)c4ccccc4 f6085e9d066e90a15a88193ddaa0372f [0,0,0,1,0,1|1,0,0]=3 257 B26R4.114420 O=C1CC(C1)Nc2nc(c(s2)c3ccccc3)c4ccccc4 53bed324f3135939f95c3b97856a3e8b [0,0,0,1,0,1|1,1,0]=4 258 B26R4.114420 OC1CC(C1)Nc2nc(c(o2)c3ccccc3)c4ccccc4 be6ffc5df3d7b8bc1fc2af8d5f54be3c [0,0,0,1,0,1|1,0,1]=4 259 B26R4.99847 O=C1CCC1Nc2nc(c(o2)c3ccccc3)c4ccccc4 b47a5f9ec87c8a6e39bc9617d4983b24 [0,1,0,1,0,0|2,0,0]=4 260 B22R2.359630 O=C(O)CCOC(C(=O)c1ccccc1)c2ccccc2 5a5c0fd433aafeb21c7d21b78af2315b [0,0,1,0,1,0|1,0,1]=4 261 B22R2.359630 O=C(O)CCO[C@@H](C(=O)c1ccccc1)c2ccccc2 11446178c9a29958c8bbc96a1147d84c [0,0,1,0,1,0|1,0,1]=4 262 B22R3.35697 O=C(O)c1cn(c(n1)c2ccccc2)c3ccccc3 663bf4a684af9fa035ce23dcfd3d291f [0,0,0,0,2,0|2,0,0]=4 263 B22R3.35697 O=C(O)c1nc(n(n1)c2ccccc2)c3ccccc3 92292d57acd62625347a713f6050f82e [0,0,0,0,2,0|2,0,0]=4 264 B24R3.1559 O=CCNc1nc(cc(n1)c2ccccc2)c3ccccc3 15e3a5b73eae84d203859ccbf639db57 [1,0,0,0,0,1|2,0,0]=4 265 B24R3.1559 O=CCNc1nc(nc(n1)c2ccccc2)c3ccccc3 2ec827602c0ae117512241531867233e [1,0,0,0,0,1|2,0,0]=4 266 B24R3.1559 O=CCOc1nc(cc(n1)c2ccccc2)c3ccccc3 60627622637a59a217472b532b2b8ec7 [1,0,0,0,0,1|2,0,0]=4 267 B24R3.1559 O=CCOc1nc(nc(n1)c2ccccc2)c3ccccc3 fc07f40d807cd46f8f8b1e8487b15e01 [1,0,0,0,0,1|2,0,0]=4 268 B24R3.1599 O=CCOc1cnc(c(n1)c2ccccc2)c3ccccc3 ce2feab9774389260ff2405b862d8ddc [1,0,0,0,0,1|2,0,0]=4 269 B24R3.23344 NC(=O)COc1nc(sc1c2ccccc2)c3ccccc3 b89dad8ef125a6c0c1363853f9c93a4a [0,0,0,0,1,1|2,0,0]=4 270 B24R3.23344 O=C(O)COc1nc(sc1c2ccccc2)c3ccccc3 94367312db69d16ebb1a512ae31bfc00 [0,0,0,0,1,1|1,0,0]=3 271 B24R3.23344 O=C(O)COc1nc(sc1c2ccccc2)c3cccnc3 a570a21e37bda8462fb038b587a9d8fa [0,0,0,0,1,1|2,0,0]=4 272 B24R3.1231410 NC(=O)CNc1n[nH]c(c1c2ccccc2)c3ccccc3 460c1b0bf3b6e7f0cfc4ad0192e659c2 [0,0,0,0,1,1|2,0,0]=4 273 B24R3.1231410 NC(=O)CNc1onc(c1c2ccccc2)c3ccccc3 5a9280cd51e9292b3c20a1f7b8a56c01 [0,0,0,0,1,1|2,0,0]=4 274 B24R3.1231410 O=C(O)CCc1ccc(n1c2ccccc2)c3ccccc3 dde290537372258096e3d4e0a58e56c2 [0,0,0,0,1,1|2,0,0]=4 275 B24R3.1231410 O=C(O)CNc1n[nH]c(c1c2ccccc2)c3ccccc3 f6488449ba26dc601798bdb81fd86bce [0,0,0,0,1,1|1,0,0]=3 276 B24R3.1231410 O=C(O)CNc1onc(c1c2ccccc2)c3ccccc3 a199c4d6c42f354aad0d329d8449c2ed [0,0,0,0,1,1|1,0,0]=3 277 B24R3.1231410 O=C(O)CSc1nnc(n1c2ccccc2)c3ccccc3 1069d6c63f7597ac3e6264db5492b470 [0,0,0,0,1,1|2,0,0]=4 278 B26R3.94722 CC(=O)CCNc1nc(cc(n1)c2ccccc2)c3ccccc3 91b2fe7d7545cc33aeee20327abf7613 [0,0,0,0,0,2|2,0,0]=4 279 B26R3.94722 CC(=O)CCNc1nc(nc(n1)c2ccccc2)c3ccccc3 4246a49996b244e5f3bb0b97a68d2169 [0,0,0,0,0,2|2,0,0]=4 280 B26R3.94722 CC(=O)CCOc1nc(cc(n1)c2ccccc2)c3ccccc3 936e6459b3931e4b1e996840cf3e55b2 [0,0,0,0,0,2|2,0,0]=4 281 B26R3.94722 CC(=O)CCOc1nc(nc(n1)c2ccccc2)c3ccccc3 29c85ba66e2bbfd8f6106022312eaa50 [0,0,0,0,0,2|2,0,0]=4 282 B26R3.94722 NC(=O)CCNc1cc(nc(n1)c2ccccc2)c3ccccc3 73312d0d2bd1b10186b88cf3fe3a3913 [0,0,0,0,0,2|2,0,0]=4 283 B26R3.94722 NC(=O)CCNc1nc(cc(n1)c2ccccc2)c3ccccc3 86e2f683ea9dbb3d254994668c98f024 [0,0,0,0,0,2|2,0,0]=4 284 B26R3.94722 NC(=O)CCNc1nc(nc(n1)c2ccccc2)c3ccccc3 ca3c50acad76e2fbfe6985e8443d9130 [0,0,0,0,0,2|2,0,0]=4 285 B26R3.94722 NC(=O)CCOc1nc(cc(n1)c2ccccc2)c3ccccc3 edbb970f34085a0489ed3ba08df7ca44 [0,0,0,0,0,2|2,0,0]=4 286 B26R3.94722 NC(=O)CCOc1nc(nc(n1)c2ccccc2)c3ccccc3 96f21b2c1ca9aa7a153885d80095e780 [0,0,0,0,0,2|2,0,0]=4 287 B26R3.94722 O=C(O)CCNc1cc(cc(c1)c2ccccc2)c3ccccc3 94d6483f80cc602d13590e37a92a6169 [0,0,0,0,0,2|2,0,0]=4 288 B26R3.94722 O=C(O)CCNc1cc(nc(n1)c2ccccc2)c3ccccc3 6ad041770270b19e6d581d9256631232 [0,0,0,0,0,2|1,0,0]=3 289 B26R3.94722 O=C(O)CCNc1nc(cc(n1)c2ccccc2)c3ccccc3 e3f7f99be5894d066cf02480e5dc9bfa [0,0,0,0,0,2|1,0,0]=3 290 B26R3.94722 O=C(O)CCNc1nc(nc(n1)c2ccccc2)c3ccccc3 ebbbd10b2104d0354f4dfb738b0257bb [0,0,0,0,0,2|1,0,0]=3 291 B26R3.94722 O=C(O)CCOc1cc(cc(c1)c2ccccc2)c3ccccc3 4399de177caac990416bd640e0da23c9 [0,0,0,0,0,2|2,0,0]=4 292 B26R3.94722 O=C(O)CCOc1nc(cc(n1)c2ccccc2)c3ccccc3 337990cdc79f960e9d139d3599c0a893 [0,0,0,0,0,2|1,0,0]=3 293 B26R3.94722 O=S(O)CCNc1cc(nc(n1)c2ccccc2)c3ccccc3 f59fd9236985f5441a6cba2696ce21b8 [0,0,0,0,0,2|2,0,0]=4 294 B26R3.94736 O=C(O)CCNc1cc(c(nn1)c2ccccc2)c3ccncc3 e99fb962e430de9c4fbaae7c3396005a [0,0,0,0,0,2|2,0,0]=4 295 B26R3.94736 O=C(O)CCNc1ccc(c(c1)c2ccccc2)c3ccccc3 67372c4770a841114405986e3f418d78 [0,0,0,0,0,2|2,0,0]=4 296 B26R3.94736 O=C(O)CCNc1cnc(c(n1)c2ccccc2)c3ccccc3 8fa205f0b48c5fcb22f198379f17d591 [0,0,0,0,0,2|1,0,0]=3 297 B26R3.849152 C=C(C)CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 429a4a9cfa00ac10ed7521995b8603e1 [0,0,0,0,0,2|2,0,0]=4 298 B26R3.849152 CC(=CCCNc1nc(c(o1)c2ccccc2)c3ccccc3)C 83ce6803a2ba3c897744f86392b28683 [0,0,0,0,0,2|2,0,0]=4 299 B26R3.849152 CC(=O)CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 acf3a04ea5e7a9bf5c71fd30b25231d8 [0,0,0,0,0,2|1,0,0]=3 300 B26R3.849152 CC(=O)CCCNc1nc(c(s1)c2ccccc2)c3ccccc3 012d0ab09d2ef1f9996a23f7612b80d7 [0,0,0,0,0,2|1,1,0]=4 301 B26R3.849152 CC(=O)NCCNc1nc(c(o1)c2ccccc2)c3ccccc3 ae28d717a71c5c81de7facda981a91a3 [0,0,0,0,0,2|1,0,0]=3 302 B26R3.849152 CC(=O)NCCNc1nc(c(s1)c2ccccc2)c3ccccc3 39b091620a8f1a17b15d90a436d4f524 [0,0,0,0,0,2|1,1,0]=4 303 B26R3.849152 CC(=O)OCCNc1nc(c(o1)c2ccccc2)c3ccccc3 f61fba24e089dae101079772f33c899b [0,0,0,0,0,2|1,0,0]=3 304 B26R3.849152 CC(=O)OCCNc1nc(c(s1)c2ccccc2)c3ccccc3 dec5037d4e0fb9d73fa62fb30e125c41 [0,0,0,0,0,2|1,1,0]=4 305 B26R3.849152 CC(=O)SCCNc1nc(c(o1)c2ccccc2)c3ccccc3 3b479331a49b12e3c17e4d03dc26034d [0,0,0,0,0,2|1,0,0]=3 306 B26R3.849152 CC(=O)SCCNc1nc(c(s1)c2ccccc2)c3ccccc3 9a7b995c0ccd5989385cc1085c9b50bf [0,0,0,0,0,2|1,1,0]=4 307 B26R3.849152 CC(O)CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 7f9a8d027540cd1ec6fbbb527207e528 [0,0,0,0,0,2|1,0,1]=4 308 B26R3.849152 FC(=CCCNc1nc(c(o1)c2ccccc2)c3ccccc3)F 65540bb11bd81429840d0f8f16c87baa [0,0,0,0,0,2|2,0,0]=4 309 B26R3.849152 NC(=O)CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 903e30e7b6fc7cd814bf098f627c7279 [0,0,0,0,0,2|1,0,0]=3 310 B26R3.849152 NC(=O)CCCNc1nc(c(s1)c2ccccc2)c3ccccc3 b60f8a94a43c4b48db507b1d17564f91 [0,0,0,0,0,2|1,1,0]=4 311 B26R3.849152 NC(=O)NCCNc1nc(c(o1)c2ccccc2)c3ccccc3 74ca6fff909ed087a7a8c2f2325552f2 [0,0,0,0,0,2|1,0,0]=3 312 B26R3.849152 NC(=O)NCCNc1nc(c(s1)c2ccccc2)c3ccccc3 5b78918fdf3a35d1915131412b4fec41 [0,0,0,0,0,2|1,1,0]=4 313 B26R3.849152 O=C(O)/C=C/CNc1nc(c(o1)c2ccccc2)c3ccccc3 87a922a2648997c281f96d65111b6261 [0,0,0,0,0,2|0,0,1]=3 314 B26R3.849152 O=C(O)/C=C/CNc1nc(c(s1)c2ccccc2)c3ccccc3 8d497cf4c07a9c26934be071da2639ef [0,0,0,0,0,2|0,1,1]=4 315 B26R3.849152 O=C(O)C=CCNc1nc(c(o1)c2ccccc2)c3ccccc3 e163863da8365e1ea72b698bc2b8f142 [0,0,0,0,0,2|0,0,1]=3 316 B26R3.849152 O=C(O)C=CCNc1nc(c(s1)c2ccccc2)c3ccccc3 985271d7739f1fbee66fee4c9697b434 [0,0,0,0,0,2|0,1,1]=4 317 B26R3.849152 O=C(O)CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 1d2449af97b1279f4b20b18ae1b4f08d [0,0,0,0,0,2|0,0,0]=2 318 B26R3.849152 O=C(O)CCCNc1nc(c(s1)c2ccccc2)c3ccccc3 4c837b99d15aa4430744bec946e5ee77 [0,0,0,0,0,2|0,1,0]=3 319 B26R3.849152 O=[N+]([O-])CCCNc1nc(c(o1)c2ccccc2)c3ccccc3 f4d9bd30a3f58e5d3d1b150c2dd1a1a5 [0,0,0,0,0,2|1,0,1]=4