smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(=O)NCCC(=O)NNC(=O)[O-] ZINC000823485740 605564297 /nfs/dbraw/zinc/56/42/97/605564297.db2.gz JXOVOVYZWDRWPE-UHFFFAOYSA-N -1 0 201.182 -1.023 20 50 BAGDRM CC(=O)NNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823584887 604814759 /nfs/dbraw/zinc/81/47/59/604814759.db2.gz DMGFBIBTKNTUFL-LURJTMIESA-N -1 0 231.208 -1.468 20 50 BAGDRM CC(=O)NNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823584889 604814588 /nfs/dbraw/zinc/81/45/88/604814588.db2.gz DMGFBIBTKNTUFL-ZCFIWIBFSA-N -1 0 231.208 -1.468 20 50 BAGDRM CC(=O)NNC(=O)COC1CN(C(=O)[O-])C1 ZINC000823585806 603470566 /nfs/dbraw/zinc/47/05/66/603470566.db2.gz OGHAHIONYIETJA-UHFFFAOYSA-N -1 0 231.208 -1.468 20 50 BAGDRM CC(=O)NNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823586609 604815846 /nfs/dbraw/zinc/81/58/46/604815846.db2.gz WETWBAKDSKPHNO-SSDOTTSWSA-N -1 0 245.235 -1.077 20 50 BAGDRM 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