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)CCCCCCCCCCCCCC[NH+](C)C ZINC000040565468 174337236 /nfs/dbraw/zinc/33/72/36/174337236.db2.gz QOPOXZUTAVLWRD-UHFFFAOYSA-N 2 0 284.532 4.791 1 0 CJAFRP