smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc(c1=O)c2c34 ZINC000003975314 557503939 /nfs/dbraw/zinc/50/39/39/557503939.db2.gz HPJFXFRNEJHDFR-UHFFFAOYSA-N 2 0 408.458 0.189 10 5 HCBERP