smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000005957367 556070813 /nfs/dbraw/zinc/07/08/13/556070813.db2.gz ZLHDFPIXRRJBKM-ZNSCXOEOSA-N -1 3 444.489 -3.058 10 0 IAAEHM C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000015721585 556867280 /nfs/dbraw/zinc/86/72/80/556867280.db2.gz ZLHDFPIXRRJBKM-PAUJSFGCSA-N -1 3 444.489 -3.058 10 0 IAAEHM CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCNC(=N)CF)C(N)=O)[C@@H](C)O ZINC000254286812 569161289 /nfs/dbraw/zinc/16/12/89/569161289.db2.gz SOZMHIJABUOUSN-ORMVGFHCSA-N -1 3 448.452 -2.882 10 0 in-vitro IAAEHM