smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1cc([O-])c(/N=C/c2c(O)ccc3ccccc23)c2ccccc21 ZINC000013864585 221293134 /nfs/dbraw/zinc/29/31/34/221293134.db2.gz DONNZBSCDYKMLS-WSDLNYQXSA-N -2 1 393.420 4.402 1 30 GIEFML