smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccc(O)c(O)c2C(=O)c2ccc(O)cc21 ZINC000005699358 374371652 /nfs/dbraw/zinc/37/16/52/374371652.db2.gz QWPVOAUJFKGLQA-UHFFFAOYSA-N -2 2 256.213 1.579 40 10 in-vitro CDCBLL