smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](C=O)[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@H](O)COS(=O)(=O)[O-] ZINC000106386755 375173045 /nfs/dbraw/zinc/17/30/45/375173045.db2.gz ATNVJYQRWDYTEY-BGPJRJDNSA-N -1 2 339.300 -3.758 10 30 EAEELM