smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000095582353 211280610 /nfs/dbraw/zinc/28/06/10/211280610.db2.gz PKXZBMJKMYELTI-QFIPXVFZSA-N -2 2 378.364 2.557 1 30 GFEFLL CCCCCCCCCC[S@@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000095582353 211280615 /nfs/dbraw/zinc/28/06/15/211280615.db2.gz PKXZBMJKMYELTI-QFIPXVFZSA-N -2 2 378.364 2.557 1 30 GFEFLL CCCCCCCCCC[S@](=O)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000095582354 211281377 /nfs/dbraw/zinc/28/13/77/211281377.db2.gz PKXZBMJKMYELTI-JOCHJYFZSA-N -2 2 378.364 2.557 1 30 GFEFLL CCCCCCCCCC[S@](=O)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000095582354 211281379 /nfs/dbraw/zinc/28/13/79/211281379.db2.gz PKXZBMJKMYELTI-JOCHJYFZSA-N -2 2 378.364 2.557 1 30 GFEFLL