smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccn([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000084651969 372900581 /nfs/dbraw/zinc/90/05/81/372900581.db2.gz QLLGKCJUPWYJON-HLTSFMKQSA-N 0 0 257.221 -1.682 30 0 CAACRN N=C(NC(N)=[NH2+])NS(=O)(=O)c1ccc(N)cc1 ZINC000100721636 373034911 /nfs/dbraw/zinc/03/49/11/373034911.db2.gz DGMSWVXNJRRNIZ-UHFFFAOYSA-N 0 0 256.291 -1.035 30 0 CAACRN