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)CCCNc1ccc([N+](=O)[O-])c2[nH+]c3ccccc3c(N)c12 ZINC000031852807 571056083 /nfs/dbraw/zinc/05/60/83/571056083.db2.gz CRFPZOQIRQYUOT-UHFFFAOYSA-N 2 2 367.453 3.853 40 5 FHBBLP