smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000016161657 556586360 /nfs/dbraw/zinc/58/63/60/556586360.db2.gz JUUJGGLBZRYJEL-JWGURIENSA-N -1 1 433.508 3.102 10 10 IGCEMM