smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CNS(=O)(=O)c1cc(C[NH2+]CC(=O)[O-])c(O)c2ncccc12 ZINC000059517982 483815099 /nfs/dbraw/zinc/81/50/99/483815099.db2.gz VOMWPZBNCDASHL-UHFFFAOYSA-N -1 1 369.355 -0.523 10 10 FBCEMM