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)C(=O)CSCC(=O)[O-] 1589021172 985011324 /nfs/dbraw/zinc/01/13/24/985011324.db2.gz MYNKSIIOBOFYQU-UHFFFAOYSA-N -1 0 176.193 -0.038 20 10 ABCDRM