smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC(CC=C)(C(=O)[O-])C(CC=C)(CC=C)C(=O)O ZINC000084403433 416495971 /nfs/dbraw/zinc/49/59/71/416495971.db2.gz GSONHGLQHNTBED-UHFFFAOYSA-N -1 2 278.348 3.433 10 30 CGEELM