smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1C[NH+](C)C)[nH]c1c2c[nH+]c2cc(Cl)ccc12 ZINC000001582295 563394338 /nfs/dbraw/zinc/39/43/38/563394338.db2.gz WZQGNFFKNNTZGM-UHFFFAOYSA-N 2 2 339.826 4.593 40 5 EJBBLP