smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c(OC)c2oc3cccc(=O)c-3c([O-])c2c1CC=C(C)C ZINC000014763098 560225821 /nfs/dbraw/zinc/22/58/21/560225821.db2.gz AIBPYVNEBSHOCZ-UHFFFAOYSA-N -2 0 356.374 3.883 1 5 in-vitro FHBFRL