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(CO[P@@](=O)([O-])O)=C(C=O)C1=O ZINC000027331209 563043188 /nfs/dbraw/zinc/04/31/88/563043188.db2.gz JNYMRYXWUVNWPM-ISLYRVAYSA-N -2 2 465.764 2.833 1 10 JFCFLL CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C(CO[P@](=O)([O-])O)=C(C=O)C1=O ZINC000027331209 563043189 /nfs/dbraw/zinc/04/31/89/563043189.db2.gz JNYMRYXWUVNWPM-ISLYRVAYSA-N -2 2 465.764 2.833 1 10 JFCFLL