smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cccc(C[NH+](C)C)c1O ZINC000001670756 342707890 /nfs/dbraw/zinc/70/78/90/342707890.db2.gz VUENIEFVRKDJAS-UHFFFAOYSA-N 2 1 208.305 1.515 40 10 BDCBMP