smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CSc1nc(O)c(C(c2ccccc2)C2C(=O)N=C(SCC(=O)[O-])NC2=O)c(=O)[nH]1 ZINC000016213710 527623264 /nfs/dbraw/zinc/62/32/64/527623264.db2.gz WGBHYOKLGZHYKC-UHFFFAOYSA-N -2 2 492.491 0.798 50 0 JCAALL COc1cc(NS(=O)(=O)c2ccc(N(C(=O)/C=C/C(=O)[O-])C(=O)/C=C/C(=O)[O-])cc2)ncn1 ZINC000067189418 569677235 /nfs/dbraw/zinc/67/72/35/569677235.db2.gz RBERLKDFMWOICR-CDJQDVQCSA-N -2 2 476.423 0.427 50 0 JCAALL