smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC[NH+](C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3O)[C@H]2O)CC1 ZINC000514288543 419059356 /nfs/dbraw/zinc/05/93/56/419059356.db2.gz HVNNDUGKTBKKJW-RYQLBKOJSA-N 2 2 349.431 -0.226 40 10 biogenic,in-vitro EBCBLP