smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(C)c(F)cc1[O-] 217519833 344402217 /nfs/dbraw/zinc/40/22/17/344402217.db2.gz ZGIBRDBRUICKID-UHFFFAOYSA-N -1 3 168.167 2.042 40 70 in-vitro AEIBHM