smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCOCC1 ZINC000032971217 556588564 /nfs/dbraw/zinc/58/85/64/556588564.db2.gz COKMVWQZEPTYFK-UHFFFAOYSA-N -1 2 426.878 2.684 10 0 IFAELM