smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1Cc2cc([O-])c3c(c2C(=O)C1)C(=O)c1cccc([O-])c1C3=O ZINC000013379071 560215819 /nfs/dbraw/zinc/21/58/19/560215819.db2.gz YXEPHAVILJDRHK-VIFPVBQESA-N -2 1 336.343 3.028 1 10 in-vitro EGCFML