smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CC[NH+](Cc2cc(=O)c(O)c(CN3CC[NH+](C)CC3)o2)CC1 ZINC000218479287 568758665 /nfs/dbraw/zinc/75/86/65/568758665.db2.gz WBSJDJUTCCSNHU-UHFFFAOYSA-N 2 2 428.533 1.424 50 70 IDIALP