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-])c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000002918298 526377531 /nfs/dbraw/zinc/37/75/31/526377531.db2.gz LVQOLGXQWCSVPM-UHFFFAOYSA-N -2 2 458.423 3.275 50 0 JGAALL