smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)CCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000006020588 560204428 /nfs/dbraw/zinc/20/44/28/560204428.db2.gz GGNDESPZSKTNHV-UFBFGSQYSA-N -2 2 388.372 1.869 10 10 in-vitro GDCELL