smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C=[NH+]Nc2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000013425181 522134104 /nfs/dbraw/zinc/13/41/04/522134104.db2.gz STHKNNLRWCJMPL-HRMQGMENSA-N 1 2 444.452 -1.175 50 30 IAEALO