smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCSS(=O)(=O)[O-] ZINC000205421375 717159791 /nfs/dbraw/zinc/15/97/91/717159791.db2.gz BTKXNJOHBRQVKX-UHFFFAOYSA-O 0 0 214.332 0.619 2 50 BCGFRN