smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC000002123788 484332212 /nfs/dbraw/zinc/33/22/12/484332212.db2.gz GBPNTXPDSKVLTF-UHFFFAOYSA-N -2 1 364.310 -0.628 50 10 FBCAML