smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2coc3cccc(O)c3c2=O)cc1 ZINC000015060713 560228203 /nfs/dbraw/zinc/22/82/03/560228203.db2.gz YCUNGEJJOMKCGZ-UHFFFAOYSA-N -1 2 268.268 3.174 1 0 biogenic,in-vitro CGAFLM