smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(CC(N)=O)C(C)C)c1 ZINC000509326388 1075108248 /nfs/dbraw/zinc/10/82/48/1075108248.db2.gz GOSNEDLEHVMUMD-UHFFFAOYSA-N -2 2 421.475 1.538 20 0 HDADLL