smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(C[NH2+]Cc2ccco2)n1 ZINC000004298830 342746243 /nfs/dbraw/zinc/74/62/43/342746243.db2.gz DQQLFHZXNMBNMH-UHFFFAOYSA-N 1 2 208.286 2.334 30 0 BEACLO