smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)N[C@@H](c1cccc(F)c1)C(C)[N+](=O)[O-] ZINC000008860547 170357860 /nfs/dbraw/zinc/35/78/60/170357860.db2.gz OMHDYMZUCPOZOX-GMSGAONNSA-N 0 3 256.233 1.888 1 5 CDBFHN COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000038878596 174158822 /nfs/dbraw/zinc/15/88/22/174158822.db2.gz BLBRFFAJTBEQKE-CHWSQXEVSA-N 0 3 278.308 1.994 1 5 CDBFHN COc1nn(CCN(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000045339785 175361354 /nfs/dbraw/zinc/36/13/54/175361354.db2.gz QIYRBCFMSYUGGJ-UHFFFAOYSA-N 0 3 264.285 1.515 1 5 CDBFHN