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]1CCC[NH2+]1)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899866 559198079 /nfs/dbraw/zinc/19/80/79/559198079.db2.gz YJPZFGLGAPCFLA-HOTGVXAUSA-N 1 0 405.455 0.932 10 5 HCBERO