safe-bpe-5000 / tokenizer.json
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Upload tokenizer
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{
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"[C@@H]4[C@H]3CC [C@@]21C",
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"[C@@]2 (",
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"[C@@H](O)C [C@@]2(C)[C@H]1CC",
"[N+] 1",
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"%9 2",
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"[C@@H]6 [C@H]2SC1",
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"[S +]",
"[C@@]4 (C)",
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"=O)C (C)(C)C",
"(=O)/C(=N\\ O",
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"[C@@H]1[C@@H]2 [C@@H](O)C[C@@]2(C)[C@H]1CC",
"C(=O)N(C)CC (=O)N(C)[C@@H]",
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"C123C(=O)N C(=O)NC1=O.C",
"[C@]23 c4c5",
"([2H] )",
"( S(C)(=O)=O)",
"/ N=C(",
"3 N",
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"4 =CC(=O)CC",
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"6 .c18",
"6 .O5C",
"9 =O.c1",
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"9 .C%13C",
"= 1",
"= 8",
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"C (C)(C)C",
"C %10C",
"I -]",
"N 3C",
"O 3C",
"O [C@H]2",
"O [C@H]3",
"S CC",
"[ Br-]",
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"[C@@H] (F)",
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"[C@@H] 4CC",
"[C@@H] %11C",
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"[C@@H]1 %10",
"[C@@H]1 2C",
"[C@@H]1 SC(C)(C)",
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"%13 .[C@@H]17",
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"CCN 5CC",
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"[C@] 6",
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"C(=O)N (C)[C@@H]",
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"CCCC 2",
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".c16 ccc%10cc1",
".c16 cccc5c1",
".C= 4CC",
".C= 7c1",
"cc2 n1",
"cc2 nc",
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"[C@H](O) [C@@H](O)[C@H](O)",
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"[C@@H](O) C1",
"[C@@H](O) CC(=O)O",
"[C@@H]2 c3cccc4[nH]cc(c34)C[C@H]2",
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"[C@@]2 5",
"[C@@]2 (C)C",
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".C%13 (C)C",
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"[C@@]1 (O)",
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"%24 =O.[C@H]",
"(C)(C) CC1",
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".c14ccccc1 Cl",
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".N16 CCC[C@H]1",
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"(C= 3",
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".N%4 9",
"(CCCC 2)",
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"[C@H](N) [C@H](O)[C@H](C)O1",
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"cc(F) ccc1F",
".[C@]1 5",
".[C@]1 6",
"nc(N) [nH]",
"[C@H]6 C1",
".[ I-]",
"C(=O)C [C@H](O)C",
"c1=O .n1",
".N18 CCN",
".N18 CCOCC1",
"C(=O)N1 5",
"[C@H]7 C1",
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".C(C) (O)C(=O)O",
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".N%14 %10",
"[C@H](C) [C@@H](O)[C@@H](C)",
".N17 CCC",
"c2ccccc21 .Cl.C3",
"cc(O) c2c(c1",
"N3 c1ccccc1S2",
".C=5 (C)C",
"[C@H]3CC [C@@]21C",
"N7 6",
".C%4 6",
".n15 cc6c(=O)c2cc(F)",
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".C%5 0",
"C(=O)N2 [C@@H]1SC(C)(C)",
"C(=O)[O-] .[Na+]",
"c%10 n1",
"CCC2 (CC1",
"%42 =O.N",
"=5 .C=5",
".[C@H]4 (C)O",
".N%15 5",
".C%17 (=O)[C@@H]",
".C=3 (C)C",
"[C@H](C 2)",
"SSC [C@H](N)",
"c(F)c1 F",
"c1cccc 5c1",
"(=O)[C@@H]%2 6C",
".c1ccccc1 6",
".S5 (=O)(=O)c1ccc",
"O=C (O)C",
"c%11 n1",
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".N1(C) CCN4CC1",
"n(C) c1=O",
".OS(=O)(=O)O .O",
".O=C(O)C =4",
".O=C(O)C (O)C(O)C(=O)O",
".S6 (=O)(=O)c1ccc",
"[C@@]4 (O)",
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".N5C (=N)N",
"O[C@H]1 5",
".OC (C(=O)O)C(O)C(=O)O",
"nc2ccccc2 1",
"nc2ccccc2 [nH]1",
"(=O)CCCC CCCCC",
".[C@@H]19 CC",
"(=O)(=O)c1 cccc2",
".C=7 C(=O)O",
"[C@H]2[C@@H]3C =C",
"=O.N6 8",
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"ccc2ccccc2 n1",
"cnc(N) nc1N",
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".Cl.C3 CC4.N3(C)C"
]
}
}