smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C(C[P@](=O)([O-])O)=C(C=O)C1=O ZINC000027092533 563039300 /nfs/dbraw/zinc/03/93/00/563039300.db2.gz ATSGCKPXOYZTMH-ISLYRVAYSA-N -2 1 449.765 2.901 1 10 IFCFML