smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cc(O)c(O)cc2c2c1[nH]c1c2c2cc(OS(=O)(=O)[O-])c(O)cc2oc1=O ZINC000058568450 563144585 /nfs/dbraw/zinc/14/45/85/563144585.db2.gz NVCJNQRNOQCIKV-UHFFFAOYSA-N -1 2 447.333 1.832 1 10 IDCFLM