smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=C\C=C\C=C(C)/C=C\C=C(\C)C(=O)[O-])/C=C\C=C(\C)C(=O)[O-] ZINC000101658535 219153172 /nfs/dbraw/zinc/15/31/72/219153172.db2.gz PANKHBYNKQNAHN-XSNKJZGYSA-N -2 0 328.408 4.609 10 5 EJBERL