smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@H](O[P@@](=O)([O-])Oc3ccc([N+](=O)[O-])cc3)[C@@H](CO[P@@](=O)([O-])Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O ZINC000077319496 553664869 /nfs/dbraw/zinc/66/48/69/553664869.db2.gz YNMZEEPJZVRFEA-XUVXKRRUSA-N -2 0 644.379 2.710 10 5 in-vitro KFBERL COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(=O)[O-])c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1)C(C)C)C(=O)CF ZINC000301320200 572144048 /nfs/dbraw/zinc/14/40/48/572144048.db2.gz WVZHCJYEVSGBHN-ILJGGPQJSA-N -2 0 691.665 2.814 10 5 KFBERL COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C(=O)[O-])c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1)C(C)C)C(=O)CF ZINC000301320201 572144149 /nfs/dbraw/zinc/14/41/49/572144149.db2.gz WVZHCJYEVSGBHN-KLOLVPEESA-N -2 0 691.665 2.814 10 5 KFBERL