smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#CC[NH+](C)C)nc3N)[C@H](O)[C@@H]1O ZINC000012405631 209163055 /nfs/dbraw/zinc/16/30/55/209163055.db2.gz ARGPRNRTJXPHOZ-PFHKOEEOSA-N 1 1 389.416 -1.923 1 30 GAEFMO