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- .gitattributes +145 -0
- pubchem/pubchem/author/xaa_pc_author_000002.ttl +3 -0
- pubchem/pubchem/author/xaa_pc_author_000003.ttl +3 -0
- pubchem/pubchem/author/xaa_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xaa_pc_author_000005.ttl +3 -0
- pubchem/pubchem/author/xaa_pc_author_000006.ttl +3 -0
- pubchem/pubchem/author/xab_pc_author_000005.ttl +3 -0
- pubchem/pubchem/author/xab_pc_author_000006.ttl +3 -0
- pubchem/pubchem/author/xac_pc_author_000002.ttl +3 -0
- pubchem/pubchem/author/xac_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xac_pc_author_000005.ttl +3 -0
- pubchem/pubchem/author/xac_pc_author_000006.ttl +3 -0
- pubchem/pubchem/author/xad_pc_author_000001.ttl +3 -0
- pubchem/pubchem/author/xad_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xad_pc_author_000005.ttl +3 -0
- pubchem/pubchem/author/xae_pc_author_000006.ttl +3 -0
- pubchem/pubchem/author/xaf_pc_author_000003.ttl +3 -0
- pubchem/pubchem/author/xaf_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xaf_pc_author_000006.ttl +3 -0
- pubchem/pubchem/author/xag_pc_author_000003.ttl +3 -0
- pubchem/pubchem/author/xag_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xai_pc_author_000002.ttl +3 -0
- pubchem/pubchem/author/xai_pc_author_000003.ttl +3 -0
- pubchem/pubchem/author/xai_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xaj_pc_author_000001.ttl +3 -0
- pubchem/pubchem/author/xaj_pc_author_000004.ttl +3 -0
- pubchem/pubchem/author/xak_pc_author_000003.ttl +3 -0
- pubchem/pubchem/author/xal_pc_author_000001.ttl +3 -0
- pubchem/pubchem/author/xal_pc_author_000002.ttl +3 -0
- pubchem/pubchem/author/xam_pc_author_000001.ttl +3 -0
- pubchem/pubchem/author/xam_pc_author_000003.ttl +3 -0
- pubchem/pubchem/descriptor/prefix_add.bash +34 -0
- pubchem/pubchem/descriptor/split_ttl_gz.bash +57 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000010.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000011.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000015.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000004.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000005.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000024.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000029.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000033.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000034.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000038.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000039.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000045.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_MolecularFormula_value_000003.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_MolecularFormula_value_000008.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000003.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000013.ttl +3 -0
- pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000015.ttl +3 -0
.gitattributes
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@@ -771,3 +771,148 @@ pubchem/pubchem/author/xad_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -t
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| 771 |
pubchem/pubchem/author/xac_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xae_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xak_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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| 771 |
pubchem/pubchem/author/xac_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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| 772 |
pubchem/pubchem/author/xae_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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| 773 |
pubchem/pubchem/author/xak_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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| 774 |
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pubchem/pubchem/pubchemtables_xaa_pc_descr_canSMILES_value_000016.json filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xai_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xad_pc_author_000001.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xag_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaa_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaa_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xam_pc_author_000001.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaa_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xag_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaj_pc_author_000001.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xam_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xac_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xai_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaf_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xad_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xal_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaf_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaf_pc_descr_IUPACName_value_000015.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xae_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xai_pc_author_000002.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xak_pc_author_000003.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xac_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xag_pc_descr_canSMILES_value_000014.ttl filter=lfs diff=lfs merge=lfs -text
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| 797 |
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pubchem/pubchem/author/xal_pc_author_000001.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xad_pc_descr_MolecularFormula_value_000001.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xab_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaf_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/pubchemtables_xaa_pc_patent2abstract_000014.json filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xai_pc_descr_MolecularFormula_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xac_pc_descr_InChI_value_000032.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_MolecularFormula_value_000010.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_isoSMILES_value_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xac_pc_descr_MolecularFormula_value_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xac_pc_descr_MolecularFormula_value_000008.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000015.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xac_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xae_pc_descr_isoSMILES_value_000011.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_isoSMILES_value_000002.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000010.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_MolecularFormula_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xad_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000032.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xad_pc_descr_isoSMILES_value_000007.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaj_pc_author_000004.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xad_pc_descr_MolecularFormula_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaf_pc_descr_isoSMILES_value_000007.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xae_pc_descr_canSMILES_value_000011.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xaa_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000023.ttl filter=lfs diff=lfs merge=lfs -text
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| 823 |
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pubchem/pubchem/descriptor/xac_pc_descr_InChI_value_000008.ttl filter=lfs diff=lfs merge=lfs -text
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| 824 |
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pubchem/pubchem/descriptor/xae_pc_descr_IUPACName_value_000019.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_MolecularFormula_value_000007.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xac_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_IUPACName_value_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xad_pc_descr_canSMILES_value_000014.ttl filter=lfs diff=lfs merge=lfs -text
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| 829 |
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pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000018.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xab_pc_descr_canSMILES_value_000015.ttl filter=lfs diff=lfs merge=lfs -text
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| 831 |
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000028.ttl filter=lfs diff=lfs merge=lfs -text
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| 832 |
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pubchem/pubchem/author/xaa_pc_author_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xac_pc_descr_IUPACName_value_000009.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/author/xab_pc_author_000005.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaa_pc_descr_isoSMILES_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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| 836 |
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pubchem/pubchem/descriptor/xac_pc_descr_IUPACName_value_000014.ttl filter=lfs diff=lfs merge=lfs -text
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| 837 |
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pubchem/pubchem/descriptor/xab_pc_descr_IUPACName_value_000020.ttl filter=lfs diff=lfs merge=lfs -text
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| 838 |
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pubchem/pubchem/descriptor/xac_pc_descr_canSMILES_value_000013.ttl filter=lfs diff=lfs merge=lfs -text
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| 839 |
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pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000024.ttl filter=lfs diff=lfs merge=lfs -text
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| 840 |
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pubchem/pubchem/descriptor/xac_pc_descr_isoSMILES_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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| 841 |
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pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000005.ttl filter=lfs diff=lfs merge=lfs -text
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| 842 |
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pubchem/pubchem/descriptor/xak_pc_descr_MolecularFormula_value_000004.ttl filter=lfs diff=lfs merge=lfs -text
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| 843 |
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pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000015.ttl filter=lfs diff=lfs merge=lfs -text
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| 844 |
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pubchem/pubchem/descriptor/xac_pc_descr_IUPACName_value_000012.ttl filter=lfs diff=lfs merge=lfs -text
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| 845 |
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pubchem/pubchem/descriptor/xab_pc_descr_isoSMILES_value_000013.ttl filter=lfs diff=lfs merge=lfs -text
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| 846 |
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000029.ttl filter=lfs diff=lfs merge=lfs -text
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| 847 |
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pubchem/pubchem/descriptor/xag_pc_descr_isoSMILES_value_000001.ttl filter=lfs diff=lfs merge=lfs -text
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| 848 |
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pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000039.ttl filter=lfs diff=lfs merge=lfs -text
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| 849 |
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pubchem/pubchem/descriptor/xaj_pc_descr_MolecularFormula_value_000010.ttl filter=lfs diff=lfs merge=lfs -text
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| 850 |
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pubchem/pubchem/pubchemtables_xaa_pc_patent2abstract_000009.json filter=lfs diff=lfs merge=lfs -text
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| 851 |
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pubchem/pubchem/descriptor/xab_pc_descr_canSMILES_value_000007.ttl filter=lfs diff=lfs merge=lfs -text
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| 852 |
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pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000038.ttl filter=lfs diff=lfs merge=lfs -text
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| 853 |
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pubchem/pubchem/descriptor/xaf_pc_descr_IUPACName_value_000001.ttl filter=lfs diff=lfs merge=lfs -text
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| 854 |
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pubchem/pubchem/descriptor/xae_pc_descr_IUPACName_value_000001.ttl filter=lfs diff=lfs merge=lfs -text
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| 855 |
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pubchem/pubchem/descriptor/xac_pc_descr_MolecularFormula_value_000011.ttl filter=lfs diff=lfs merge=lfs -text
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| 856 |
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pubchem/pubchem/descriptor/xae_pc_descr_isoSMILES_value_000003.ttl filter=lfs diff=lfs merge=lfs -text
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| 857 |
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pubchem/pubchem/descriptor/xad_pc_descr_isoSMILES_value_000009.ttl filter=lfs diff=lfs merge=lfs -text
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| 858 |
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pubchem/pubchem/descriptor/xad_pc_descr_MolecularFormula_value_000010.ttl filter=lfs diff=lfs merge=lfs -text
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| 859 |
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pubchem/pubchem/descriptor/xag_pc_descr_MolecularFormula_value_000001.ttl filter=lfs diff=lfs merge=lfs -text
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| 860 |
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pubchem/pubchem/descriptor/xad_pc_descr_canSMILES_value_000017.ttl filter=lfs diff=lfs merge=lfs -text
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| 861 |
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pubchem/pubchem/descriptor/xad_pc_descr_isoSMILES_value_000008.ttl filter=lfs diff=lfs merge=lfs -text
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| 862 |
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000014.ttl filter=lfs diff=lfs merge=lfs -text
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| 863 |
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pubchem/pubchem/descriptor/xae_pc_descr_IUPACName_value_000016.ttl filter=lfs diff=lfs merge=lfs -text
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| 864 |
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pubchem/pubchem/descriptor/xab_pc_descr_InChI_value_000060.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xag_pc_descr_isoSMILES_value_000006.ttl filter=lfs diff=lfs merge=lfs -text
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pubchem/pubchem/descriptor/xaf_pc_descr_isoSMILES_value_000015.ttl filter=lfs diff=lfs merge=lfs -text
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| 867 |
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pubchem/pubchem/descriptor/xab_pc_descr_isoSMILES_value_000010.ttl filter=lfs diff=lfs merge=lfs -text
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| 868 |
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pubchem/pubchem/descriptor/xaf_pc_descr_isoSMILES_value_000005.ttl filter=lfs diff=lfs merge=lfs -text
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oid sha256:f3d699629bb3f0ae2f769ce69b3cfb57a09773338dcc4997ce1fb878ab3306ca
|
| 3 |
+
size 76871156
|
pubchem/pubchem/descriptor/prefix_add.bash
ADDED
|
@@ -0,0 +1,34 @@
|
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|
| 1 |
+
#!/bin/bash
|
| 2 |
+
|
| 3 |
+
# Directory to search for .ttl files.
|
| 4 |
+
search_dir="."
|
| 5 |
+
|
| 6 |
+
# File containing the prefix.
|
| 7 |
+
prefix_file="prefix"
|
| 8 |
+
|
| 9 |
+
# Check if the prefix file exists.
|
| 10 |
+
if [[ ! -f "$prefix_file" ]]; then
|
| 11 |
+
echo "Error: '$prefix_file' not found."
|
| 12 |
+
exit 1
|
| 13 |
+
fi
|
| 14 |
+
|
| 15 |
+
# Find and process each .ttl file.
|
| 16 |
+
find "$search_dir" -type f -name "*.ttl" -exec sh -c '
|
| 17 |
+
for ttl_file do
|
| 18 |
+
# Create temporary files.
|
| 19 |
+
temp_file=$(mktemp)
|
| 20 |
+
temp_file2=$(mktemp)
|
| 21 |
+
|
| 22 |
+
# Remove lines starting with @prefix and write to the temporary file.
|
| 23 |
+
grep -v '^@prefix' "$ttl_file" > "$temp_file2"
|
| 24 |
+
|
| 25 |
+
# Prepend the prefix to the .ttl file and write to the temporary file.
|
| 26 |
+
cat "$1" "$temp_file2" > "$temp_file"
|
| 27 |
+
|
| 28 |
+
# Move the temporary file to the original .ttl file.
|
| 29 |
+
mv "$temp_file" "$ttl_file"
|
| 30 |
+
|
| 31 |
+
# Remove the temporary files.
|
| 32 |
+
rm "$temp_file2"
|
| 33 |
+
done
|
| 34 |
+
' _ "$prefix_file" {} +
|
pubchem/pubchem/descriptor/split_ttl_gz.bash
ADDED
|
@@ -0,0 +1,57 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
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|
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|
|
|
|
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|
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|
|
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|
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|
|
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|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#! /bin/bash
|
| 2 |
+
|
| 3 |
+
# splitlines is a variable that tells the script after how many
|
| 4 |
+
# Turtle triples groups it should split. At the moment, we simply
|
| 5 |
+
# split by assuming that each trailing '.' at the end of a line
|
| 6 |
+
# ends a triples group.
|
| 7 |
+
# The default is 200000000 but depending on the size of your
|
| 8 |
+
# ttl.gz or your memory you may want to decide for smaller chunks.
|
| 9 |
+
# splitlines can be changed/overridden with option -l
|
| 10 |
+
splitlines=1000000
|
| 11 |
+
|
| 12 |
+
# auxchar is an auxiliary character
|
| 13 |
+
# that the script needs to replace end of lines
|
| 14 |
+
# in an intermediate step. you need to make sure
|
| 15 |
+
# that it doesn't appear in the turtle file you want to split.
|
| 16 |
+
# auxchar can be changed/overridden with option -x
|
| 17 |
+
auxchar=±
|
| 18 |
+
|
| 19 |
+
while getopts l:x: opt; do
|
| 20 |
+
case $opt in
|
| 21 |
+
l)
|
| 22 |
+
splitlines=$OPTARG
|
| 23 |
+
echo "splitlines set to $splitlines explicitly by option -l" >&2
|
| 24 |
+
;;
|
| 25 |
+
x)
|
| 26 |
+
auxchar=$OPTARG
|
| 27 |
+
echo "auxchar set to $auxchar explicitly by option -x" >&2
|
| 28 |
+
;;
|
| 29 |
+
\?)
|
| 30 |
+
echo "Invalid option: -$OPTARG" >&2
|
| 31 |
+
;;
|
| 32 |
+
esac
|
| 33 |
+
done
|
| 34 |
+
|
| 35 |
+
#get the last argument (filename) expects a ttl.gz:
|
| 36 |
+
fn="${@: -1}"
|
| 37 |
+
|
| 38 |
+
# Then create all the split gz files:
|
| 39 |
+
# Note: the last ${fn}.gz probably creates files named .gz.gz but who cares.
|
| 40 |
+
|
| 41 |
+
splitfiles=(*_${fn}_split*)
|
| 42 |
+
|
| 43 |
+
if [ -e "${splitfiles[0]}" ] || [ -e "prefixes_${fn}.gz" ]
|
| 44 |
+
then
|
| 45 |
+
echo "splits or prefix file for file ${fn} already exist!"
|
| 46 |
+
else
|
| 47 |
+
# First, extract a file containing all the prefixes...
|
| 48 |
+
echo "Creating prefixes_${fn}.gz"
|
| 49 |
+
gunzip -c ${fn} | grep @prefix |sort -u | gzip > prefixes_${fn}.gz
|
| 50 |
+
|
| 51 |
+
# ... then, create the actual split files
|
| 52 |
+
echo "Creating split files"
|
| 53 |
+
zcat ${fn}| grep -v @prefix | sed -e s/'\.$'/"$auxchar"/g | \
|
| 54 |
+
tr '\n' ' ' | tr "$auxchar" '\n' | grep -v -e '^[ ]*$' | \
|
| 55 |
+
sed -e s/'$'/' .'/ | \
|
| 56 |
+
split -l$splitlines --additional-suffix=_${fn}_split --filter='gzip > $FILE.gz'
|
| 57 |
+
fi
|
pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000010.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:283eeb8f8984bc712b3730fe8f243c51bd130c68a1e2850df2617dc0370a5ace
|
| 3 |
+
size 131807633
|
pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000011.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9a49fcb9e22bf15814c78bdf804538866bbeb7e12b5a4ad76e11f9e4c6a4c3e6
|
| 3 |
+
size 169394080
|
pubchem/pubchem/descriptor/xaa_pc_descr_IUPACName_value_000015.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:91734bf8db627929bdcb9b9736a54b435dfd60bf6a9f568709782f7df50a6905
|
| 3 |
+
size 131342156
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000004.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:025e25e099c74e96ab345f0d7707f2793b67a361942f4d7eacaa9c616b8b4675
|
| 3 |
+
size 194595214
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000005.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4d2c0bdeb7be83b37ac9a61f1b3f25d28567ad84fc2db8f3fcfd8e98ab3c36df
|
| 3 |
+
size 217746921
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000024.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:10828dc6bf43d93fdf914aad46a8c949833118eafe0a407a807f70a00f2605bc
|
| 3 |
+
size 158327998
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000029.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:9ef8b021565ea58f3eb364bfd3ae5a03ab5e0cbeba34386c378c42d28bda4aef
|
| 3 |
+
size 194962071
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000033.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0799b7275be411048a35c967cdee8dc8c21928409fdefe5af9e25014be5efc8b
|
| 3 |
+
size 161253043
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000034.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:06761bca195c131c7a05803177f2f44c37e232364e0e2bb822656cb6c4bb87ce
|
| 3 |
+
size 194521564
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000038.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1d33b830988d907f228fed791155c838ea27a123a207db730b24a3543214cabb
|
| 3 |
+
size 192502637
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000039.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:300904b63c55b3cd3583f76853f9bc12248e4d793c3ae47cd3fc4da82a2f4362
|
| 3 |
+
size 197085851
|
pubchem/pubchem/descriptor/xaa_pc_descr_InChI_value_000045.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:462780cfd6d88fcc3cf12b241a061666871038ed7db7a67ae97c430f255fc566
|
| 3 |
+
size 216146219
|
pubchem/pubchem/descriptor/xaa_pc_descr_MolecularFormula_value_000003.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c4b6899b1e215c11918c4ef343774c6226c70b592ccef2f31458ea7287d36854
|
| 3 |
+
size 76977997
|
pubchem/pubchem/descriptor/xaa_pc_descr_MolecularFormula_value_000008.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:feb123f9befa6059f7367ba29f52230d0687f42877be6a461c99cabf74bfb45c
|
| 3 |
+
size 77040611
|
pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000003.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c250b5570494e1cc9f84880b6f4ad9bb9d460e5d1adc8f1a748bb5ff837606a3
|
| 3 |
+
size 119601929
|
pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000013.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d5684511afe5c1239562c9ecf0476f909af98fe5f04f1d3d8c6810d20174ec6e
|
| 3 |
+
size 113808204
|
pubchem/pubchem/descriptor/xaa_pc_descr_canSMILES_value_000015.ttl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f228d5259472d9a2f2c974940428e60b5fc04acfa2fc6ec02a11b89fd8a780ad
|
| 3 |
+
size 127004233
|