smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH+](C)C)cccc12 ZINC000029546948 562030032 /nfs/dbraw/zinc/03/00/32/562030032.db2.gz PCDQLFWIZFQMAV-UHFFFAOYSA-N 2 1 507.616 3.803 10 10 KHCEMP