smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004333581 471463923 /nfs/dbraw/zinc/46/39/23/471463923.db2.gz WAKCOPSNRVRPLU-UHFFFAOYSA-N 2 2 332.448 2.591 50 5 EFBALP