smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1C(=O)Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1 ZINC000028765420 204880347 /nfs/dbraw/zinc/88/03/47/204880347.db2.gz UIMYOGGUEFVLGB-UHFFFAOYSA-N 2 1 399.560 4.206 1 10 GICFMP