smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1ccc2cc3ccccc3cc2c1 ZINC000028645817 171568389 /nfs/dbraw/zinc/56/83/89/171568389.db2.gz KTUDOJBIRJCFFU-UHFFFAOYSA-N -1 2 292.290 3.220 1 5 CGBFLM