__key__ stringlengths 8 9 | __url__ stringclasses 32
values | lig_xyz.pyd unknown | name.txt stringlengths 4 4 | rec_r.pyd unknown | rec_feat.pyd unknown | rec_xyz.pyd unknown | seq.txt stringlengths 24 4.72k | smiles.txt stringlengths 4 317 |
|---|---|---|---|---|---|---|---|---|
0_000100 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVLAIAAAAAAABdlChHQCEFocrAgxJHv/6PXCj1wo9HQDkZFocrAgyHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AgVP3ztkWiR7/tqfvnbItER0A53XCj1wo9h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAHjMzMzMzM0e/8IcrAgxJukdAOwEGJN0vG4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCD64UeuFHtHP9UvGp++dslHQDlvXCj1wo+HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1c5y | "gASV9UAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+VLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJoQAAA7X0sEkab2z8fp94k5ve5P0ZUfKjSr+w/Y3BeiXfQ7D++RpI08AuLP/ZxJQ4s09u/8SkO5kukrL/ROHWTBtXvP/gJ973A7LW/upTTC/hXsT/kySoX6hHQP+Uzkwc... | "gASVk6EAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+VLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQgShAABGtohBGy/Nv5qZ2kGNl4NBkxg8wJZD20GBlYNBeelOwLge50HsUYtBd743wK5H7EG+n4pBpHB9wH9q1EE1XohB6SZpwBKDyEHTTYhBZmauwIlB10EdWo1BXrq... | "gASVBRYAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+VLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJ4FQAAbef7qfFyMEBQjZduEoMHwJzEILByaDtAke18PzWeLkB9PzVeuskQwOOlm8Qg0D5AzczMzMzsMECamZmZmRkewDeJQWDlsD9A7nw/NV66MkCNl24SgwAiwAAAAAA... | IIGGEFTTIENQPWFAAIYRRHVTYVCGGSLMSPCWVISATHCFIKKDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADAHHNDIALLKIRSCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKEASTDYLYPEQLKMTVVKLISHRECQQYYGSEVTTKMLCAADWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKKPGVYTRVSHFLPWIRSHTKEE | N=C(N)c1cc2cccnc2s1 |
0_000101 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVoQgAAAAAAABdlChHQCMR64UeuFJHQDvGp++dsi1HQCCul41P3zuHlEdAJBR64UeuFEdAOlaHKwIMSkdAIEQYk3S8aoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCbtkWhysCFHQDpBiTdLxqhHQCFkWhysCDGHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCIocrAgxJxHQDlZ2yLQ5WBHQCG52yLQ5WCHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1c70 | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAI2vBCwOt5b/Xk7BCayHkv4j/1KgSaNi/I2vBCwOt5T+xYGI0ojHVv6IziXtCBeW/Ux48NWdd0j+ZyeerOoHmv920CWBZ0OQ/vPhJE41d0D/wsmXCp3vKPwvZX+Q... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAAD2KOhBd74gQne+s0AZBPBB5dAcQphupkArh+tBXI8ZQpqZgUA73+FBj8IZQqjGc0Bcj/JBzUwZQhsvzUCsHOlBcT0aQrx060D6fuZBgRUgQgaB4UAAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAjZduEoMAPkAnMQisHJpDQOf7qfHSzRRAbef7qfHyPUCWQ4ts52tCQCPb+X5qvAFA9ihcj8IVPUDP91PjpatAQJhuEoPAygpAi2zn+6nRPUDJdr6fGk8+QGIQWDm... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CC(C)(C)NC(=O)C1C[NH+](Cc2cc3ccccc3o2)CC[NH+]1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O |
0_000102 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVpQMAAAAAAABdlChHQEY0/fO2RaJHQDG+uFHrhR9HQBSUeuFHrhSHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0BGrhR64UeuR0AxA5WBBiTdR0AT64UeuFHsh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAR1Cj1wo9cUdAMWBBiTdLx0dAFV41P3ztkYeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQEaZFocrAgxHQC8bpeNT989HQBG8an752yOHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1c84 | "gASVFlQAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCiFMAAGLEYsqfgOk/rWRyxjVvxr8nwiLlcH/iP/BHc+NeLuO/qHCOLd9B1r/O51nM/BHnPwI8qAiwHbM/TM9MukF57b+gXgElMnbYv3fl9qG02+I/T01pXbbX3z+Bqzp... | "gASVZNEAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiULU0AAAG++NQocWgUGe76ZBBJaLQukmiEFWDqZBiyyKQm3nhkH2KJtBnm+LQgRWhEE9CpNBRnaMQgAAlEFiEKdBiyyKQnE9nEFU46dBooWIQrpJm0GTGLJBg8CJQkJ... | "gASVZhwAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC2BsAAJhuEoPAclFAvp8aL90EMUBvEoPAysE0QDeJQWDluFBAsp3vp8YrMUCe76fGSzcyQNejcD0KF1FASgwCK4d2NEDn+6nx0g0xQFyPwvUo7FFAH4XrUbjeMkAX2c7... | EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKTYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED | O=C(O)C(=O)Nc1cc2ccccc2cc1C(=O)O |
0_000103 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVwgMAAAAAAABdlChHQB+8an752yNHQEhdcKPXCj1HQDet0vGp++eHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AgLItDlYEGR0BH0/fO2RaHR0A21wo9cKPXh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAG8GJN0vGqEdAR2SbpeNT+EdANstDlYEGJYeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCKan752yLRHQEeqHKwIMSdHQDYuFHrhR66HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1c86 | "gASVzlMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSgBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQFMAACgK5prUddo/8fobh4yd3b8DKG5y/hfpv1nmJADjdOI/5N+36JSV6T/hquBfJXfFv9S05l3Ai+Y/wEgqE1qC2L+ijcEPRR7jP+BdXQ3BJeE/kbmZWyuj6j8zavZ... | "gASVsNAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSgBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIg0AAAukmaQbazhkLlUBJCsHKVQZYDhUInMQ5C7nyOQYPAhkKamQpC5dCNQdlOhkIj2wVCGQSPQSmcgkJ9PxBC5dCFQf5Ug0JvEhRCoBp5QaycgEIQ2BRCDAKFQYl... | "gASVThwAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSgBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwBsAAHWTGARWrjJAnMQgsHKgUECgGi/dJMZBQFpkO99PbTBA001iEFhhUUCoxks3iWFBQD81XrpJjDNArkfhehTmUUAUrkfheuRAQHWTGARW7jRAd76fGi8lUUDD9Sh... | MEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYVNVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKTYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2 |
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0_000105 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVwgMAAAAAAABdlChHQEcCbpeNT99HQDFsSbpeNT9HQBc+dsi0OViHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0BGmp++dsi0R0Aw1LxqfvnbR0AUul41P3zuh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdARfR64UeuFEdAMUyLQ5WBBkdAFD52yLQ5WIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQEa3ztkWhytHQC7lYEGJN0xHQBJztkWhysGHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1c88 | "gASVFlQAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCiFMAAIcfhljjm+M/iPOj6aH5zr+v431JwxLoP3Zk0YQo6Oi/Il902i9e1r/IYkEyubDgP5na/Iyhf8E/oTAChfX27L9PS13K3MLZv1Dtq3QmyuA/QaAAEg/t5D/6mRp... | "gASVZNEAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiULU0AAAd/6MQnnpbkHheqZBwzWLQh+FgEFU46RBaryJQrpJgEFokZlBCheLQs/3f0FYOZFB4TqNQtnOiUGmm6VBxSCMQpHtlEHsUaRBDu2JQl66lUFaZKxBCpeKQoP... | "gASVZhwAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTSkBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC2BsAAB+F61G4ZlFAcT0K16MQMEAj2/l+apw0QI/C9Shcr1BAw/UoXI+CMEBGtvP91PgxQNEi2/l+IlFAVOOlm8TAM0AMAiuHFhkxQLpJDAIr91FAke18PzUeMkD4U+O... | EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKTYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC[NH2+]C2 |
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0_000107 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVDwIAAAAAAABdlChHQDIgxJul41RHv+AQYk3S8apHQEUU/fO2RaKHlEdAMl752yLQ5Ue/8EGJN0vGqEdARG3ztkWhy4eUR0Az10vGp++eR7/6gxJul41QR0BEh++dsi0Oh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdANL41P3ztkUe/+ZmZmZmZmkdAQ/N0vGp++oeUR0A2DU/fO2RaR8ACYk3S8an8R0BEC8an752yh5RHQDXotDlYEGJHwAyJN0vGp/BHQERpWBBiTdOHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1ceb | "gASVxRYAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS09LCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUI4FgAAhQ/cUDEHtj9bvoUSjr1tv4wkUumP4e+/GjAoaKwl4r+QFPbX0FDqv4WcI1IIi6e/Wn5Wz2o26r+S+KNG0zTiP6gG+upmpLK/4ynpJWn1pj8V4QpUSJrqv3lOeRM... | "gASVGzgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS09LD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQow3AAC288lA5dBaQOF6z0FU48VAJzGIQOkm2UEdWsRAaJFVQEoM40FiELhANV4KQKJF4kH4U59ABoGlQEJg2UEZBF5A9iiMQMP11EEAAMB/AADAfwAAwH8AAMB/AAD... | "gASV9QcAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS09LA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJoBwAAI9v5fmq8GECgGi/dJAYRQL6fGi/dJDtAoBov3SQGGUAEVg4tsp0KQM/3U+Ol2z5AvHSTGARWC0B3vp8aL90KQOxRuB6Fq0BA9ihcj8J1EEBKDAIrhxYMQCcxCKw... | CKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILEC | [NH3+]CC1CCC(C(=O)O)CC1 |
0_000108 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVpQMAAAAAAABdlChHQEMKHKwIMSdHQBIxJul41P5HQDS0/fO2RaKHlEdAQyIMSbpeNUdAGDItDlYEGUdANINT987ZF4eUR0BCtR64UeuFR0AcBBiTdLxqR0A1YQYk3S8bh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAQqgxJul41UdAGsOVgQYk3UdANtiTdLxqf4eUR0BDT1wo9cKPR0AaKwIMSbpeR0A3jdLxqfvnh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAQtpeNT987kdAIOdsi0OVgUdANRl... | 1cet | "gASVhAAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTZwESwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC4EsBAJ8XX0SLtdc/xWcAEeS47b/AzZ3G69R+PymXI4nR+eK/fAWs3fQRz7+7rFnHYpHov+RCSl6s4OY/4ozOZL7q0T+nJj4wr4Dkv9t7OkaI0u8/vmOQ5kecoL9ZChe... | "gASVhgAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTZwESw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwPQMAc+hCQummGEKDwLJBG69AQkY2HEICK6pBdZM6Qm8SHEIpXKpBcT04Qm3nF0Ly0qxBP7VCQoVrGkL2KJ9BAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVLm8AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTZwESwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCoG4AANnO91PjFUhAEFg5tMiGQ0BMN4lBYEU1QN0kBoGVQ0ZAJzEIrBwqREB56SYxCAw1QO58PzVeGkZABoGVQ4ssQ0ArhxbZzvcxQKabxCCwkkRAAiuHFtkOQkDLoUW... | APKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSHTNVMSNCKVSGSNTYDDLAGSDVVIVTAGFTNRLDLLPLNNKIMIEIGGHIKKNCAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVEFINNKLISDAELEAIFDRTVNTALEIVNLHASPYVAPAAAIIEMAESYLKDLKKVLICSTLLEGQYGHSDIFGGTPVVLGANGVEQVIELQLNSEEKAKFDEAIAETKRMKALAAPKAKIVLVGSGMIGGVMATLIVQK... | CC[NH+](CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
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0_000130 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVTgMAAAAAAABdlChHwAe8an752yNHQCVbpeNT989HQDRdsi0OVgSHlEfABotDlYEGJUdAI+HKwIMSb0dAM0OVgQYk3YeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwAu6XjU/fO5HQCGFocrAgxJHQDMwYk3S8aqHlEfACp++dsi0OUdAIA1P3ztkWkdAMhR64UeuFIeUR8AE87ZFocrBR0AgjU/fO2RaR0Aw+6XjU/fPh5RHv/+2RaHKwINHQCLocrAgxJxHQDEWyLQ5WBCHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1dgm | "gASV3mEAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVoBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCUGEAAOV5zEZjzaC/mFiqB4yP1j/pm0B/a+3tvxbK0/GKrue/4ZbBeURm5L+SKf+TqW7Lv/jWWWXsfuW/f3G2kkTs5T8MvRg6/QjSP+zLBteDrdi/iv7Kdysd3z8psHb... | "gASV2PMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVoBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJI8wAAbecLwRBYhMHufOtAuB4LwQwCd8HBygVB/tQCweXQfsEpXBtB000Kwfp+h8EK1yNBvHQhwW8SbcGuRwlBx0spwVK4ZMHl0OpA7FEgwT0KW8EUrhlBAADAfwA... | "gASV/iAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTVoBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCcCAAAKRwPQrXYyHAx0s3iUHgLsDTTWIQWLkgQOkmMQisnBrAbxKDwMohL8Dy0k1iEBgnQJzEILByaBfAjZduEoPgMMDjpZvEIPArQEw3iUFgZRbA9P3UeOnmKsBOYhB... | TGPMRVFAIGNPILDLVAEVPSSFLDEFFLKRGDATLATPEQMRIYSTLDQFNPTSLPGGSALNSVRVVQKLLRKPGSAGYMGAIGDDPRGQVLKELCDKEGLATRFMVAPGQSTGVCAVLINEKERTLCTHLGACGSFRLPEDWTTFASGALIFYATAYTLTATPKNAFEVAGYAHGIPNAIFTLNLSAPFCVELYKDAMQSLLLHTNILFGNEEEFAHLAKVHNLVTANKEHAVEVCTGALRLLTAGQNTGATKLVVMTRGHNPVIAAEQTADGTVVVHEVGVPVVAAEKIVDTNGAGDAFVGGFLYALSQGKTVKQC... | Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O |
0_000131 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVlwYAAAAAAABdlChHQDdWhysCDEpHQFDMKPXCj1xHQEXH752yLQ6HlEdANh++dsi0OUdAUPdcKPXCj0dARfo9cKPXCoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDXAAAAAAABHQFDqTdLxqfxHQEaxR64UeuGHlEdANGOVgQYk3UdAUMVgQYk3TEdARsBBiTdLx4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDOrxqfvnbJHQFCYQYk3S8dHQEZDtkWhysGHlEdAMnfO2RaHK0dAUHl41P3ztkdARlZ... | 1dhi | "gASV/lkAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCcFkAALZazzS6Wdq/NFZ95whI5r+hi8cJStDiP7gaT6s15OY/qwWqJ/yMwz9cI7FxzdHlP+p0CT3/EOK/D1eRNzFx5j8iHgvKgdrbPz/83qKdWeE/IFSSDUDT6j9UCtp... | "gASVKOAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKY3wAAGQTDQb4fbkIOLYJAzczHQc/3aUJ/apxAAivBQW+SaUJMN8VAF9m9QdejbUICK9dA9ijTQbBya0KLbKdAI9vXQYnBaEJU481AmpnjQUJgbEIZBN5AqvHdQQT... | "gASVXh4AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC0B0AAJqZmZmZ+ThA5dAi2/k+TUBaZDvfT40TQKjGSzeJITdAmG4Sg8BqTEA/NV66SQwfQPyp8dJNojhAvHSTGARWTEAIrBxaZHsmQGq8dJMYZDdAokW28/2ES0DFILB... | MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERRMISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
0_000132 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVlwYAAAAAAABdlChHQDaJ++dsi0RHQFCdcKPXCj1HQEWZWBBiTdOHlEdANZmZmZmZmkdAUNhBiTdLx0dAReiTdLxqf4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDVEGJN0vGpHQFDQgxJul41HQEakm6XjU/iHlEdAM+2RaHKwIUdAUKffO2RaHUdARrn752yLRIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDMn752yLQ5HQFB6bpeNT99HQEZGp++dsi2HlEdAMfN0vGp++kdAUF7peNT99EdARmg... | 1dhj | "gASV/lkAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCcFkAAB16hLF+Td2/3GZmAn6/5b/FppjMFFfiP89ZbALXBuc/v9TUezxkuD9qQQwcwgLmP8GPGNLetOC/6QEmWmlG5z+0g7Qg1IHcPwhhGJI2vuE/toB2c8d56j9trrm... | "gASVKOAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKY3wAAj8LCQRfZbEI/NYJAYhDIQRSuaEJmZppAokXBQVI4aEI9CsNAkxi+QT81bEJzaNVALbLSQY/CakLsUahApHDYQfwpZ0J7FMZAQmDjQcfLakKiRd5A1XjeQdV... | "gASVXh4AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTT4BSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolC0B0AADVeukkMAjlA9ihcj8IVTUDNzMzMzEwTQARWDi2yHTdAFK5H4XpETEA1XrpJDIIeQNV46SYxiDhAtvP91Hg5TEDJdr6fGi8mQF66SQwCSzdA8tJNYhBoS0CYbhK... | MISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILERRMISLIAALAVDRVIGMENAMPWNLPASLAWFKRNTLDKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVSSEFHDADAQNSHSYCFEILERR | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
0_000133 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVzQsAAAAAAABdlChHQCOfvnbItDlHwBerAgxJul5HQDBUOVgQYk6HlEdAIdDlYEGJN0fAE+dsi0OVgUdALwrAgxJumIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQCMdsi0OVgRHwAy+dsi0OVhHQC6OVgQYk3WHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AeZ2yLQ5WBR8ATc7ZFocrBR0AwTAgxJul5h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAHFgQYk3S8kfAGKbpeNT99EdAMKX... | 1dif | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAOows5uHN4L8mfIscLU3qP69Jw8/yPcy/2SKrffms5z8+fW+COgXUP0wknbMvD+O/cHhaEcfp2r/KXDo2B3fevxDvNllat+i/lgWyqpq27r/cmXiR+LGqv5HsPMY... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAADpJlnADAL/QFyPCELsUSjAppvcQAYBC0LNzJy/9P3gQNv5CELdJIa/hxb1QArXBELVeFHADAKzQFYOCUIOLYbAd76/QNt5BELFIJDAyXbuQNt5BUIAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAACtejcD0KBcD6fmq8dJMbQOOlm8QgYEFAVg4tsp3v8T++nxov3aQZQJqZmZmZSUFAvHSTGARWAEA1XrpJDAIKQFTjpZvEUEBAUrgehevRFUD8qfHSTWL6P3Noke1... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CC(C)C(NC(=O)N(C)Cc1ccccn1)C(=O)NC(Cc1ccccc1)C(O)(O)C(F)(F)C(Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C |
0_000134 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVGQQAAAAAAABdlChHQFmrZFocrAhHQDQ2yLQ5WBBHQDNNDlYEGJOHlEdAWaCDEm6XjUdANUUeuFHrhUdANF++dsi0OYeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQFlpiTdLxqhHQDZtDlYEGJNHQDPmZmZmZmaHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQFlz987ZFodHQDRu2RaHKwJHQDVv3ztkWh2HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1dl7 | "gASVtT4AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS91LCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIoPgAAk5f14j/d7L9Rua4V7r7QP9Cb7GEo+tU/6lxL/fuHzr9b4NohqhnXP3yoM8qn2ey/B2bJhq0H17+XQqTh6KTsvzTjPBei19C/NbxB3lf/4L8+EXdwrEHpP5ndDlC... | "gASV85sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS91LD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQmSbAAAfRc9CeekWQARWp0Hp5tFCGy8tQDeJq0HVeNNCBoFVQMl2okH2KNNCpHA9QCcxmUGyXdNCmpm5P39qr0HZTtZCheuxP9v5q0GDANdCvHQTPiuHpUGH1thCmpk... | "gASVRRUAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS91LA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUK4FAAAvp8aL908WkDZzvdT46UFQP7UeOkmcTVAdZMYBFbWWkB56SYxCKwTQMHKoUW2kzNAtvP91HjJW0A5tMh2vp8SQGZmZmZmpjNArBxaZDtPXEA3iUFg5dAeQOf7qfH... | QAVVTQESALTTSPGETVTLTCRSSTGAVTTSNYANWVQEKPDHLFTGLIGGTKHRTPGAPARFSGSLIGDKAALTITGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLQVQLKESGPGLVAPSQSLSITCTVSGFSLTGYGVNWVRQPPGKGLEWLGMIWGDGSTDYNSALKSRLNISKDKSKSQVFLRMYSLQTDDTARYYCARDYGPYWGQGTLVTVS | C[N+](C)(C)CCOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1 |
0_000135 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVYgcAAAAAAABdlChHwB/si0OVgQZHQDGrQ5WBBiVHQDT5mZmZmZqHlEfAIVaHKwIMSkdAMPWBBiTdL0dANf752yLQ5YeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwCQocrAgxJxHQDDZWBBiTdNHQDXoMSbpeNWHlEfAJaDEm6XjVEdAMFO2RaHKwUdANvmZmZmZmoeUR8AkO2RaHKwIR0Av1gQYk3S8R0A4H752yLQ5h5RHwCFvGp++dslHQDABBiTdLxtHQDg4k3S8an+HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1dmp | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAIAg5cAzYnT/7ti31vffev5XPJDgq/es/CgnzTFBB1b8S7e4MY4/qv2ZJJ1q5rdy/7PMSgVUr7j+oL72wS8HRvzzE+RZyqse/i6EaMWl13T+wSX4N+mPsP2xl61d... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAABYOU7BnMQaQmZm+kF56U7BXrocQqJF70EnMVrBDq0YQmQ76EHwp2DBJYYUQocW7EEUrjfBFK4dQgIr7EFaZCvBF9kaQsP19EH0/TjBVOMbQi/d/kEAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAd76fGi/dKcCe76fGS5dDQGIQWDm06D1AVg4tsp3vLMCmm8QgsNJCQNv5fmq81DpAtMh2vp/aKMBqvHSTGHRBQNnO91PjRTlAqvHSTWJQKsBYObTIdu5AQF66SQw... | PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNFPQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF | Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)C(Cc3ccccc3)C(O)C(O)C2Cc2ccccc2)c1 |
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0_000156 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV5QoAAAAAAABdlChHQBgdsi0OVgRHQDtpul41P31HQBObpeNT98+HlEdAHAYk3S8aoEdAOo4UeuFHrkdAFh2yLQ5WBIeUR0Agp++dsi0OR0A68GJN0vGqR0AV4k3S8an8h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0Ahgo9cKPXDR0A7+p++dsi0R0ATpN0vGp++h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAIqBBiTdLx0dAOgIMSbpeNUdAGJa... | 1ec1 | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAnqPs9K5o57+ubg3waTnlv39/+D1KOMS/PiM5zdFO4T9BCn/g8hnbvz5TY0VlQee/jiV12E6R2j9rWGPGAb/jvxrLd+puZOU/025Jt+4r0j/tO6I/jTfGP3ahfHI... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAADD9eRB0aIgQl66qUCyne1Bnm8dQnsUlkBMN+lBHdoZQgaBZUC+n99BENgZQpMYVEApXPJBUA0aQvypuUBEi+hBlkMZQt0k1kCsHONBzcweQoXr1UAAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAwcqhRbazPUDLoUW2861DQMP1KFyPwhJAx0s3iUGgPUCiRbbz/WRCQJHtfD81Xv4/2c73U+OlPEBGtvP91KhAQH0/NV66SQhAI9v5fmp8PUDdJAaBlWM+QCcxCKw... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CNC(=O)C(NC(=O)C(OCc1ccc(-c2ccsc2)cc1)C(O)C(O)C(OCc1ccc(-c2ccsc2)cc1)C(=O)NC(C(=O)NC)C(C)C)C(C)C |
0_000157 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVHwsAAAAAAABdlChHQBfQ5WBBiTdHQDtxaHKwIMVHQBOTdLxqfvqHlEdAG/KwIMSbpkdAOqTdLxqfvkdAFjZFocrAg4eUR0AhNLxqfvnbR0A7HXCj1wo9R0AWXCj1wo9ch5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AhZFocrAgxR0A8JFocrAgxR0AUDlYEGJN1h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAIrItDlYEGUdAOil41P3ztkdAGSP... | 1ec2 | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAA1/VLBpVq5r8HVJtqFiblvzbvYvpvO9G/DPIzz7eg4z+9ixLVvlfXv1alC8XJaua/wqH+bYlY1z8XM38tAP3kvxCnBYLeJeU/Qdf9Vibk0T91dHVOp9bIP/jfn6U... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAABWDudBRjYiQq5HpUAdWu9Be5QeQgAAlEDP9+pByyEbQmQ7X0CameFBe5QbQu58R0Bt5/JBUA0bQvT9uEAIrOhBfb8aQuXQ0kAxCORByXYgQjm00EAAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAJQaBlUPrPUDD9Shcj9JDQAAAAAAAgBJA+n5qvHTTPUBqvHSTGIRCQBfZzvdT4/0/nMQgsHLoPEBmZmZmZsZAQFTjpZvEIAhAc2iR7XyfPUBGtvP91Jg+QIcW2c7... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CNC(=O)C(NC(=O)C(OCc1ccc(-c2cccnc2)cc1)C(O)C(O)C(OCc1ccc(-c2cccnc2)cc1)C(=O)NC(C(=O)NC)C(C)C)C(C)C |
0_000158 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVcQoAAAAAAABdlChHQDC7ZFocrAhHQDGiTdLxqfxHQAh41P3ztkaHlEdAMIj1wo9cKUdAMyRaHKwIMUdAC0WhysCDEoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQC487ZFocrBHQDN++dsi0OVHQAdqfvnbItGHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0AwwtDlYEGJR0AzgUeuFHrhR0ATx64UeuFIh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAMJT987ZFokdANO3S8an750dAFO2... | 1ec3 | "gASVPTgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKwNwAAPbjFPWTx5b9jZZ4VQurlv0BZXztljs+/GiNkaAvl4j+SYscPM9LUvxR/C8mLoue/CNOuTFA92z/ZF7W/c93kv0q8FUsiFOQ//PEMW9hQ1D+bPBXaAoLIP1z2usd... | "gASVx4sAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjiLAACkcOlBeekgQsUgrEBcj/FBf2odQs/3l0BeuuxBtEgaQo/CZUBCYONBDAIbQmIQUEDVePVBppsZQiuHukBcj+tBTDcZQrTI1kAZBOdBw/UeQoGV10AAAMB/AAD... | "gASVHRMAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS8ZLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKQEgAAUrgehesxPkBaZDvfT61DQOXQItv5/hJAxSCwcmjxPUDjpZvEIHBCQH9qvHSTGP4/TDeJQWAFPUBcj8L1KKxAQNNNYhBYOQdAPzVeuknMPUAAAAAAAGA+QEjhehS... | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF | CC(C)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NC(C(=O)NCc1ccccn1)C(C)C)C(=O)NCc1ccccn1 |
0_000159 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV2gIAAAAAAABdlChHwDgeuFHrhR9HwDWR64UeuFJHwBUHKwIMSbqHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR8A3Ak3S8an8R8A1wAAAAAAAR8AXAQYk3S8bh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEfANtXCj1wo9kfANrP3ztkWh0fAGmVgQYk3TIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwDXffO2RaHNHwDTPGp++dslHwBVnbItDlYGHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1ec9 | "gASVhAAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTe0GSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCqPIBAErS4Z3Rj7m/LPLU6zfZyb+69jlUay3vv8ixmFhibO+/s0p1grGmwb8WLSb7TorAP1PJsrSeicS/CYMvNkwH7z+EIB/TyJ7Hv7zkAVUm9Y4/DEzhbuVl5r8tQ2D... | "gASVhgAAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTe0GSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKk3gQATmIYQJ7v9ME3iTnC/KkhQCuH6cGgmjjCWmQTQMUg5sE5tDLCpHDtP+xR7MGDQC/CpHDtPylc4sF/6jzC/tT4P6Aa1sFO4jvC8tJVQLge0cF/ajzCRIt8QF6... | "gASVxqYAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTe0GSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCOKYAAGiR7Xw/NQRAN4lBYOUwPcAX2c73UxNHwIlBYOXQIgVAPQrXo3DdOsCuR+F6FI5FwLx0kxgEVuK/xSCwcmjxOMCF61G4HsVFwD0K16NwPQPAKVyPwvVIN8Av3SQ... | QFTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSV... | O=C(O)C(O)C(O)C(O)C(=O)NO |
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0_000164 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVlwYAAAAAAABdlChHQEQ3ztkWhytHQDobItDlYEJHQEM1gQYk3S+HlEdARIU/fO2RaEdAONHrhR64UkdAQv0OVgQYk4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQES7AgxJul5HQDhnbItDlYFHQEOqn752yLSHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0BD/dLxqfvnR0A32RaHKwIMR0BCr987ZFodh5RHQEPbZFocrAhHQDZxJul41P5HQEMCLQ5WBBmHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1elb | "gASVDUQAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKAQwAAjECulH/54j+jCGHKkx7jv5vci1VLRuE/f2/bX0N44L8ltjVqv//NP0g393orZOo/CCOGjSLR47+VDN/DLorov+SDOPPRksW/sUYPNfwG6T9teeTI9DKQvwXQCzU... | "gASVT6kAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQsCoAADRIidClkMDQvhTDEJGtiNCajwGQm3nD0LdJB9CMYgIQgyCDEJcDyBCdz4LQvp+CELRIidCCKwKQuOlEkIhsCNCTuINQv5UFkIvXStCKVwIQuxRFkIAAMB/AAD... | "gASVDRcAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKAFgAAEFg5tMh2REBkO99PjcdAQLByaJHt/EFAg8DKoUW2QkDjpZvEIDBBQKjGSzeJYUFAiUFg5dAiQkCYbhKDwPpCQL6fGi/dtEFApHA9CtfjQ0DFILByaIFDQGDl0CL... | VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN | CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F)C(=O)Nc1ccc(C(C)C)cc1 |
0_000165 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV7gYAAAAAAABdlChHQEDe2RaHKwJHQDVv3ztkWh1HQD6SLQ5WBBmHlEdAQHPXCj1wpEdANiAAAAAAAEdAP6o9cKPXCoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQEArItDlYEJHQDd2RaHKwINHQD8+NT987ZGHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0BA541P3ztkR0A2QgxJul41R0BAdR64UeuFh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAQTAgxJul40dANRbItDlYEEdAQLn... | 1elc | "gASVDUQAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKAQwAAtpVLnRM74j9DBXjf/fbhvyoDlMr2NOM/rwJI26634r8KDzOr5DbOP+R17MXV1Og/SMxJPGF54r8jG82KmmHpv0/onXON0ci/qkeIYD/w6T80iwicG7Orv9QoP1f... | "gASVT6kAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQsCoAABqvCJCjZcDQgaBDEKkcB9C2/kGQhDYD0I5NBtC308JQnsUDEIZhBxC7vwLQisHCEKynSJCrJwLQvhTEkLZTh9CtEgOQmS7FkLHyydCvp8JQvCnFEIAAMB/AAD... | "gASVDRcAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS/BLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUKAFgAArkfhehTuQ0CsHFpkO99AQF66SQwC+0FAqvHSTWIwQkA3iUFg5UBBQJZDi2znW0FAg8DKoUWWQUC8dJMYBAZDQIts5/upwUFAokW28/1UQ0DZzvdT45VDQJZDi2z... | VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN | CC(C)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C(CCCC[NH3+])NC(=O)C(F)(F)F)cc1 |
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0_000194 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV6QUAAAAAAABdlChHQEY90vGp++dHQDD6n752yLRHQFSPO2RaHKyHlEdARkvGp++dskdALubpeNT99EdAVI3ztkWhy4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdARuztkWhysEdALhsi0OVgQkdAVL8an752yYeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQEZaXjU/fO5HQC4o9cKPXClHQFQuZmZmZmaHlEdARkAgxJul40dAKzO2RaHKwUdAVCB... | 1fcz | "gASVpUIAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIYQgAAsx+bWSMf7D/nUCICQArBv+6NC0jZU92/9VSgBwqOqz9/jo5PE2vvP9JWHGF3TMe/mv9yTF9Y3j/ZujmydlHBP3ZxvXj01us/J64aRu4j0z8+9wVZuLDpP01lRJ9... | "gASVy6UAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjylAADRog1CYOVQQKIF7kLbeQhCCtdLQEih7EJvEgZCgZWTQBCY7EJz6ARC5dCeQC9d6kL40wNCAisXQPp+7UJ56QNCXI+CP2Al7kIAAMB/AADAfwAAwH8AAMB/AAD... | "gASVlRYAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIIFgAArBxaZDsPQUB7FK5H4XoJQFyPwvUolF1Ax0s3iUFwQEAj2/l+ajwbQEJg5dAiw11ATDeJQWAVQkDfT42XbhIgQLpJDAIrX11AWDm0yHbOQUBcj8L1KFwXQHe+nxo... | SPQLEELITKVSKAHQETFPSLCQLGKYTTNSSADHRVQLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLSIADQITLLKAACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVDKLQEPLLEALRLYARRRRPSQPYMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLE | CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)ccc21 |
0_000195 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVXQYAAAAAAABdlChHQEZhaHKwIMVHQDE5FocrAgxHQFRwMSbpeNWHlEdARnAAAAAAAEdAL2VgQYk3TEdAVHvGp++dsoeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdARwvGp++dskdALstDlYEGJUdAVLSsCDEm6YeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQEZ+VgQYk3VHQC5gxJul41RHQFQe6XjU/fSHlEdARlWBBiTdL0dAK31wo9cKPUdAVBY... | 1fd0 | "gASVpUIAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLCYaUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIYQgAArJSBx5DX7T8QtkzvsrfAvxq+CZ4KitW/dNuJJApXtD8WHmaDH3rvP7hu/sdUrsS/mtpmJ6qJ1j8Rw+f+LLq/P0xkIMG5r+0/z2LjMP8O1D+7vI2zrtHpP+AyelJ... | "gASVy6UAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLD0sDh5RoA4wFZHR5cGWUk5SMAmY0lImIh5RSlChLA4wBPJROTk5K/////0r/////SwB0lGKJQjylAACixQ1C7nxPQFyP7UJkOwhCnu9HQJaD7EJa5AVCj8KRQIeW7EJ9vwRCvp+eQPhT6kJqPARCUI0HQDeJ7UI3CQRCf2rcPxlE8EIAAMB/AADAfwAAwH8AAMB/AAD... | "gASVlRYAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBS+tLA4aUaAOMBWR0eXBllJOUjAJmOJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUIIFgAAgZVDi2wHQUDLoUW28/0IQJzEILBykF1APQrXo3BtQEDfT42XbhIbQNEi2/l+wl1ABoGVQ4sMQkDy0k1iEBggQPYoXI/CXV1ACtejcD3KQUBCYOXQIlsXQG3n+6n... | SPQLEELITKVSKAHQETFPSLCQLGKYTTNSSADHRVQLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLSIADQITLLKAACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVDKLQEPLLEALRLYARRRRPSQPYMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLE | CC1(C)CCC(C)(C)c2cc(/C(=N/O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 |
0_000196 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVMQMAAAAAAABdlChHQDUnrhR64UhHQFFvXCj1wo9HQEK141P3ztmHlEdANDaHKwIMSkdAUTPnbItDlkdAQoJul41P34eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHQDSPXCj1wo9HQFEFHrhR64VHQEHmJN0vGqCHlEdAM6yLQ5WBBkdAUMb52yLQ5UdAQbO2RaHKwYeUR0AzTZFocrAhR0BQij1wo9cKR0BCOHKwIMSch5RHQDK0OVgQYk5HQFC5mZmZmZpHQELVwo9cKPaHlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AA... | 1fh7 | "gASVTlgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwFcAADNyHAUN9eg/tQZzW5dT4L/hQkiuqjPXv4fn/zd07tW/xZae5x+m6r+qAi0xwNPbPwWhZ2N/wuC/XJzv0QSBy7+4KGTU7GDqv4VGs3arFek/AQoy4yvK47/Y2Kc... | "gASV8NsAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJg2wAAz/ctQsdLREJkuzVC5VApQgpXRkIj2zhCM7MkQv5UQkKixThCyyEkQnc+P0LV+DRC9H0nQj+1S0JvkjZCAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVzh0AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQB0AACcxCKwcKkVAexSuR+HKSEAIrBxaZBtHQJhuEoPAmkNA0SLb+X7aR0AAAAAAALBHQHsUrkfhWkJA8KfGSzdJSUAMAiuHFolHQJHtfD81HkJAc2iR7Xy/SkDVeOk... | ATTLKEAADGAGRDFGFALDPNRLSEAQYKAIADSEFNLVVAENAMKWDATEPSQNSFSFGAGDRVASYAADTGKELYGHTLVWHSQLPDWAKNLNGSAFESAMVNHVTKVADHFEGKVASWDVVNEAFADGGGRRQDSAFQQKLGNGYIETAFRAARAADPTAKLCINDYNVEGINAKSNSLYDLVKDFKARGVPLDCVGFQSHLIVGQVPGDFRQNLQRFADLGVDVRITELDIRMRTPSDATKLATQAADYKKVVQACMQVTRCQGVTVWGITDKYSWVPDVFPGEGAALVWDASYAKKPAYAAVMEAF | OC1C[NH2+]CC(OC2OCC(O)C(O)C2O)C1O |
0_000197 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV2gIAAAAAAABdlChHwFB4UeuFHrhHQDMPnbItDlZHQEzoMSbpeNWHlEfAUEUOVgQYk0dAM5T987ZFokdATGFHrhR64YeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwFB87ZFocrBHQDPxaHKwIMVHQEvBaHKwIMWHlEfAUEBysCDEnEdANHdLxqfvnkdASzyLQ5WBBoeUR8BQAuFHrhR7R0AzeNT987ZGR0BLB87ZFocrh5RHwE+PGp++dslHQDMtkWhysCFHQEuZ2yLQ5WCHlEfAT/ztkWhysEdAMpU/fO2RaEdATCr... | 1fh8 | "gASVTlgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwFcAAAO7KsN9SdQ/2az9X07v6j940bA/J/nbv39AsWjLaeg/1RViqaIA4L9EC3XiHznav+sppUzTB+K/nyHtQ8QOyr/uh+M3Gp/pvwV4V06ViOS/tAPq+M+V57+m2sL... | "gASV8NsAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJg2wAAUjg+wnE9MEIE1oBCphtAwi2yK0KWg4JCvPQ7wlI4J0KohoJC46U4wincJkI5tIBCkW1Fwo2XKUIncYFCAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVzh0AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQB0AAPp+arx0A0jAg8DKoUV2RUCcxCCwclBQQARWDi2yDUfAI9v5fmrsQ0CYbhKDwJpQQJHtfD81bkjAEFg5tMimQkCiRbbz/XRQQNNNYhBYyUnACtejcD1aQkDhehS... | ATTLKEAADGAGRDFGFALDPNRLSEAQYKAIADSEFNLVVAENAMKWDATEPSQNSFSFGAGDRVASYAADTGKELYGHTLVWHSQLPDWAKNLNGSAFESAMVNHVTKVADHFEGKVASWDVVNEAFADGGGRRQDSAFQQKLGNGYIETAFRAARAADPTAKLCINDYNVEGINAKSNSLYDLVKDFKARGVPLDCVGFQSHLIVGQVPGDFRQNLQRFADLGVDVRITELDIRMRTPSDATKLATQAADYKKVVQACMQVTRCQGVTVWGITDKYSWVPDVFPGEGAALVWDASYAKKPAYAAVMEAF | OC1C[NH2+]CCC1OC1OCC(O)C(O)C1O |
0_000198 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASV/AMAAAAAAABdlChHQDTlYEGJN0xHQFDsWhysCDFHQEDE3S8an76HlEd/+AAAAAAAAEd/+AAAAAAAAEd/+AAAAAAAAIeUR0A0xiTdLxqgR0BRJsi0OVgQR0BBQgxJul41h5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdANEi0OVgQYkdAUQXjU/fO2UdAQdGJN0vGqIeUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEdAM+6XjU/fO0dAUK5WBBiTdUdAQdG... | 1fh9 | "gASVTlgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwFcAAGy0DfXOuuk/svu10pHE3792rGrRJPLUv9yhca/nu9e/sN4u26Mq67/YemukhxjYP3Is3Nsbvt2/jSEhop82x7/ZMGBv3Lvrv3nmVEVtx+g/o0sNfRcp5L8alG8... | "gASV8NsAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJg2wAAUA0uQsFKRUIrhzZCiUEpQgaBR0LNTDlCCKwkQsl2Q0KoRjlCvh8kQsdLQEJEizVCEoMnQjOzTEKmmzZCAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVzh0AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQB0AANV46SYxKEVA46WbxCDwSECamZmZmSlHQAisHFpkm0NAyXa+nxr/R0DHSzeJQcBHQEa28/3UWEJAYOXQIttpSUAGgZVDi5xHQDvfT42XHkJAPQrXo3DdSkDVeOk... | ATTLKEAADGAGRDFGFALDPNRLSEAQYKAIADSEFNLVVAENAMKWDATEPSQNSFSFGAGDRVASYAADTGKELYGHTLVWHSQLPDWAKNLNGSAFESAMVNHVTKVADHFEGKVASWDVVNEAFADGGGRRQDSAFQQKLGNGYIETAFRAARAADPTAKLCINDYNVEGINAKSNSLYDLVKDFKARGVPLDCVGFQSHLIVGQVPGDFRQNLQRFADLGVDVRITELDIRMRTPSDATKLATQAADYKKVVQACMQVTRCQGVTVWGITDKYSWVPDVFPGEGAALVWDASYAKKPAYAAVMEAF | O/N=C1\NCC(OC2OCC(O)C(O)C2O)C(O)C1O |
0_000199 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/05993efd4d6c2ca19e3314f2a1828ef3ad2e2947d0ca7ffb534d790e102fa39a | "gASVwgMAAAAAAABdlChHwE6vvnbItDlHQCoKPXCj1wpHQE0J2yLQ5WCHlEfATvPXCj1wpEdALKfvnbItDkdATR9cKPXCj4eUR3/4AAAAAAAAR3/4AAAAAAAAR3/4AAAAAAAAh5RHwE9u2RaHKwJHQC1MSbpeNT9HQEyMan752yOHlEfAT7AgxJul40dAL/nbItDlYEdATKDlYEGJN4eUR8BPK4UeuFHsR0Aw+dsi0OVgR0BMlP3ztkWih5RHf/gAAAAAAABHf/gAAAAAAABHf/gAAAAAAACHlEfAT3fvnbItDkdAMkm6XjU/fUdATJ+... | 1fhd | "gASVTlgAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwmGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCwFcAAHxepwlAxeq/rmiPMbeA4D9md1NB3KnHvx2bCAZIu+C/f7aQfVtG679QNRDZg8iHv5V0CdOX78S/b0tSYCdCtj8oGD76OnLvP0ckZnKZTua/xkPeKTw85L+8Hyt... | "gASV8NsAAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSw9LA4eUaAOMBWR0eXBllJOUjAJmNJSJiIeUUpQoSwOMATyUTk5OSv////9K/////0sAdJRiiUJg2wAATuJEwpoZKUIj231CWuQ/wlI4LEL+1H5CnEQ7wgRWKELwp39CO183wkhhKEL2qHxCb5JAwqLFL0LF4IFCAADAfwAAwH8AAMB/AADAfwAAwH8AAMB/AADAfwA... | "gASVzh0AAAAAAACMFW51bXB5LmNvcmUubXVsdGlhcnJheZSMDF9yZWNvbnN0cnVjdJSTlIwFbnVtcHmUjAduZGFycmF5lJOUSwCFlEMBYpSHlFKUKEsBTTgBSwOGlGgDjAVkdHlwZZSTlIwCZjiUiYiHlFKUKEsDjAE8lE5OTkr/////Sv////9LAHSUYolCQB0AAAaBlUOL/EfA16NwPQqHRUC0yHa+n9pPQLpJDAIr90bAyXa+nxofREBU46WbxFBQQOxRuB6FO0jA001iEFi5QkAIrBxaZDtQQCPb+X5qrEnAx0s3iUFQQkBcj8L... | ATTLKEAADGAGRDFGFALDPNRLSEAQYKAIADSEFNLVVAENAMKWDATEPSQNSFSFGAGDRVASYAADTGKELYGHTLVWHSQLPDWAKNLNGSAFESAMVNHVTKVADHFEGKVASWDVVNEAFADGGGRRQDSAFQQKLGNGYIETAFRAARAADPTAKLCINDYNVEGINAKSNSLYDLVKDFKARGVPLDCVGFQSHLIVGQVPGDFRQNLQRFADLGVDVRITELDIRMRTPSDATKLATQAADYKKVVQACMQVTRCQGVTVWGITDKYSWVPDVFPGEGAALVWDASYAKKPAYAAVMEAF | OC1COC(OC2Cn3ccnc3C(O)C2O)C(O)C1O |
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