smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH+]1CCCC1 ZINC000004214841 210515735 /nfs/dbraw/zinc/51/57/35/210515735.db2.gz YNWCUCSDUMVJKR-UHFFFAOYSA-N 2 2 353.853 4.933 10 10 in-man FJCELP