smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cscc1-c1nc2cc(C(=O)[O-])ccc2c2cnccc12 ZINC000059224427 184135977 /nfs/dbraw/zinc/13/59/77/184135977.db2.gz WUFWUWPVNPZILS-UHFFFAOYSA-N -1 0 320.373 4.518 1 5 DJBFRM