smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c([O-])c2ccccc2oc1=O ZINC000217844028 206365973 /nfs/dbraw/zinc/36/59/73/206365973.db2.gz MKYYDOAQGQHGJH-LBPRGKRZSA-N -2 1 374.776 3.553 50 70 FHIAML COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c([O-])c2ccccc2oc1=O ZINC000217843915 571351047 /nfs/dbraw/zinc/35/10/47/571351047.db2.gz MKYYDOAQGQHGJH-GFCCVEGCSA-N -2 1 374.776 3.553 50 70 FHIAML