smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(CC[C@H](C)C(=O)[O-])ccc2c(=O)c3c(O)cccc3oc21 ZINC000014693242 560224585 /nfs/dbraw/zinc/22/45/85/560224585.db2.gz BJXCLOCXKACHPQ-JTQLQIEISA-N -2 0 342.347 3.314 1 5 biogenic,in-vitro EGBFRL