smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc(O)[nH]c(=O)c2)C1 ZINC000019477569 170808299 /nfs/dbraw/zinc/80/82/99/170808299.db2.gz AIYNLASENYDCBO-JGVFFNPUSA-N -1 2 282.252 -0.193 10 10 CBCELM