smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c([O-])cc(OC)c(c1c23)c54 ZINC000013650843 562999205 /nfs/dbraw/zinc/99/92/05/562999205.db2.gz NSZZOXIDMIFTCS-UHFFFAOYSA-N -2 1 434.400 3.341 1 5 IGBFML