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-])Cn1c(=O)c2ccc3c(=O)n(CC(=O)[O-])c(=O)c4ccc(c1=O)c2c34 ZINC000059372129 206102264 /nfs/dbraw/zinc/10/22/64/206102264.db2.gz JFAYSQYLTHCSAW-UHFFFAOYSA-N -2 0 382.284 -0.765 50 5 GBBARL