smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCOCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 ZINC000002000662 563417925 /nfs/dbraw/zinc/41/79/25/563417925.db2.gz PUIGECVNBBIKBA-UHFFFAOYSA-N 2 0 342.527 3.556 40 5 EHBBRP