smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc2c([O-])c(O)ccc2o1 199136 166322926 /nfs/dbraw/zinc/32/29/26/166322926.db2.gz WYJZNQIVRNPORS-UHFFFAOYSA-N -1 1 192.170 2.047 3 10 AECFMM