smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](C(=O)[O-])C(=O)OS(=O)(=O)[O-] 12502550 169242385 /nfs/dbraw/zinc/24/23/85/169242385.db2.gz RZIKAUMRZOEFET-SFOWXEAESA-N -1 2 199.140 -2.256 1 0 in-vivo AAAFLM [NH3+][C@H](C(=O)[O-])C(=O)OS(=O)(=O)[O-] 34930892 169261983 /nfs/dbraw/zinc/26/19/83/169261983.db2.gz RZIKAUMRZOEFET-PVQJCKRUSA-N -1 2 199.140 -2.256 1 0 in-vitro AAAFLM