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)N1CCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3[O-])[C@H]2O)CC1 ZINC000514288543 419059360 /nfs/dbraw/zinc/05/93/60/419059360.db2.gz HVNNDUGKTBKKJW-RYQLBKOJSA-N 0 3 349.431 -0.226 40 10 biogenic,in-vitro EBCBHN