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)=CCC/C(C)=C/Cc1c([O-])cc(O)c2c(=O)c3cccc([O-])c3oc12 ZINC000040934339 209195967 /nfs/dbraw/zinc/19/59/67/209195967.db2.gz PCKHKINJZFNYEO-GXDHUFHOSA-N -2 3 380.440 5.298 10 5 GKBEHL