smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@@H]12 ZINC000306122720 522032656 /nfs/dbraw/zinc/03/26/56/522032656.db2.gz YFDKVMRBKPQWID-DZOXEBMKSA-N 0 2 414.414 -0.036 2 30 HBEFLN