smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1[C@@H]2C[C@@H](OCCP(=O)([O-])O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224602774 825244368 /nfs/dbraw/zinc/24/43/68/825244368.db2.gz TZUFPZAGOPASND-XNRKMWMOSA-N -2 2 263.230 -0.207 20 30 CBEDLL