smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Cn2cncc2CCN[C@H]2CCN(CCc3ccccc3)C2=O)cc1 ZINC000013863854 581101128 /nfs/dbraw/zinc/10/11/28/581101128.db2.gz ZFIIDVFVNVOHRN-DEOSSOPVSA-N 0 3 413.525 2.779 1 30 HFEFHN CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N ZINC000040866214 581093378 /nfs/dbraw/zinc/09/33/78/581093378.db2.gz AMXXUGYFUBHRPW-FJIDUMEYSA-N 0 3 420.916 2.533 1 30 HFEFHN