smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)[N-]C(=O)c1ccccc1N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O ZINC000095535676 562753753 /nfs/dbraw/zinc/75/37/53/562753753.db2.gz QLZHQISESMNVEC-KEOOTSPTSA-N -3 3 783.796 -1.449 1 5 KABFHL NC(=O)C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)[C@H](Cc2ccc([O-])c([N+](=O)[O-])c2)NC(=O)CNC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](N)CCCCNC1=O ZINC000095536917 562754274 /nfs/dbraw/zinc/75/42/74/562754274.db2.gz KCDJVHHVSPOADR-SFWVMEGXSA-N -2 3 792.760 -5.531 1 5 KABFHL