smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(C#N)N=Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000027548669 520398109 /nfs/dbraw/zinc/39/81/09/520398109.db2.gz KPXSVPJUTXGHMG-SOFYXZRVSA-N 0 1 319.281 -1.185 50 30 DAEAMN C=CCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)[N-]C1=S ZINC000019996283 182175617 /nfs/dbraw/zinc/17/56/17/182175617.db2.gz GCPPMTGYRAWXSX-ZHACJKMWSA-N 0 1 323.422 -1.206 50 30 DAEAMN