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)CCCCNc1ccnc2cc3ccccc3cc21 ZINC000019142557 182106169 /nfs/dbraw/zinc/10/61/69/182106169.db2.gz FKRQQYCXQGWVLN-UHFFFAOYSA-N 1 1 321.468 4.922 40 5 DJBBMO