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](C=O)NC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)[C@@H]1CC[NH+]=C(N)N1 ZINC000026185320 556250498 /nfs/dbraw/zinc/25/04/98/556250498.db2.gz LAAPTJZMTVJGEE-BWJWTDLKSA-N 1 0 496.569 -2.602 40 30 JAEBRO