smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000048308683 570232309 /nfs/dbraw/zinc/23/23/09/570232309.db2.gz LGLZTMONLLYBNI-UHFFFAOYSA-N 2 0 386.518 1.797 50 5 GDBARP