zihaojing commited on
Commit
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Add files using upload-large-folder tool

Browse files
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test/protein.parquet ADDED
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test/raw/molecule.txt ADDED
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+ Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3
2
+ CN(CC(O)CO)N=O
3
+ O=[N+]([O-])c1ccc(OC2CO2)cc1
4
+ Cn1cnc2cc([N+](=O)[O-])ccc21
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+ CC[C@H](CO)NCCN[C@H](CC)CO
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+ CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1
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+ Cc1ccc2c(ccc3ccccc32)c1
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+ OC[PH](CO)(CO)CO
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+ C/C=C/c1ccc(OC)cc1
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+ c1ccc2c(c1)-c1cc3c(cc1C1NC21)-c1ccccc1C1NC31
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+ COc1nsc2cccc([N+](=O)[O-])c12
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+ CC(C)=CCC1CCCC1=O
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+ Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
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+ CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
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+ OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O
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+ O=[N+]([O-])c1ccc(COc2ccccc2)cc1
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+ CCOC(=O)N(CC)N=O
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+ CCCCCCN(N=O)C(N)=O
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+ O=C(C(=O)c1ccccc1)c1ccccc1
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+ Cc1ccccc1OCC1CO1
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+ CC(C)N(N)C(C)C
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+ Oc1c(Cl)cccc1Cl
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+ Nc1ccccc1SCSc1ccccc1N
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+ Cc1ccncc1
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+ CC(=O)Oc1ccc2c(c1)OC1(C)OOC21C
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+ Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
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+ c1ccc2c(c1)-c1ccc3ccccc3c1C1NC21
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+ c1ccc(C2NC2c2ccccc2)cc1
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+ Cc1ccc2ccccc2c1[N+](=O)[O-]
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+ NCCN
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+ O=C1NC(=O)[C@@H]2CC=CC[C@H]12
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+ CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
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+ COc1ccc(CNC(=O)C(C)Br)cc1
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+ ClCc1cccc(CCl)c1
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+ CC1=CC[C@H]2C[C@@H]1C2(C)C
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+ O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCC=C2
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+ CCCCN(N=O)/C(C=O)=N/O
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+ Cc1ccc(NN=NCc2ccccc2)cc1
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+ CN(C)NC(=O)CCC(=O)O
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+ Cc1c2ccccc2c(CO)c2ccccc12
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+ CC(=O)c1ccccc1
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+ CN(C)CCOC(c1ccccc1)c1ccccc1
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+ O=[N+]([O-])c1ccc2ccc3cc4c(c5ccc1c2c35)C(O)C(O)C=C4
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+ O=[N+]([O-])C(Cl)(Cl)Cl
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+ c1ccc(Nc2cccc3ccccc23)cc1
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+ COC[C@@H](O)Cn1cc([N+](=O)[O-])nc1Cl
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+ C=C(C)C1CO1
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+ CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC
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+ CC(=O)Nc1ccc2ccccc2n1
test/raw/protein.txt ADDED
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+ 2MIO
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+ 3AL6
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+ 6H86
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+ 7F6L
5
+ 8ITY
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+ 8IUH
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+ 9FSO
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+ 9FSQ
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+ 9FSS
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+ 3AL5
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+ 5N9G
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+ 6Y7F
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+ 7LXF
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+ 8IUE
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+ 8J07
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+ 9FSP
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+ 9FSR