smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#Cc1c(CO[P@](=O)([O-])O)cnc(C)c1O ZINC000169337844 188252320 /nfs/dbraw/zinc/25/23/20/188252320.db2.gz XSGSFWYMPRUUOO-UHFFFAOYSA-N -3 2 243.155 0.686 1 30 BCEFLL