smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)N ZINC000096937348 185132753 /nfs/dbraw/zinc/13/27/53/185132753.db2.gz SRUDUAFYZJZROG-VIFPVBQESA-N 0 3 296.323 0.035 1 10 CCCFHN