smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNc1cc[nH+]c2[nH]c3ccc(C)cc3c21 ZINC000045167123 175319417 /nfs/dbraw/zinc/31/94/17/175319417.db2.gz HPQIHPPGWRCPIY-UHFFFAOYSA-N 2 2 296.418 3.778 1 0 CHAFLP