smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc3cc(Cl)ccc3c(NCCC[NH+](C)C)c2c1 ZINC000028009920 202164113 /nfs/dbraw/zinc/16/41/13/202164113.db2.gz SBOPCMBWLYLGJB-UHFFFAOYSA-N 1 3 327.859 4.713 10 10 EJCEHO