smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc(C(=O)OCC)c(O)c1O ZINC000000404092 355910134 /nfs/dbraw/zinc/91/01/34/355910134.db2.gz YOKOBAHUBJPMGP-UHFFFAOYSA-N -2 2 260.267 1.513 50 10 CDCALL