smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCC[N@H+]1CCC(=NNC(=O)C[N+](C)(C)C)[C@@H](C)C1 ZINC001116886629 717196621 /nfs/dbraw/zinc/19/66/21/717196621.db2.gz OGUIMSCANMLKCV-AWEZNQCLSA-O 2 1 313.466 0.933 20 50 DCGDMP CCOCCC[N@H+]1CCC(=NNC(=O)C[N+](C)(C)C)[C@H](C)C1 ZINC001116886633 717196380 /nfs/dbraw/zinc/19/63/80/717196380.db2.gz OGUIMSCANMLKCV-CQSZACIVSA-O 2 1 313.466 0.933 20 50 DCGDMP