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](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000085565587 562753301 /nfs/dbraw/zinc/75/33/01/562753301.db2.gz NIIZKQVUHKYFML-LROMGURASA-N 1 3 643.834 -0.157 10 0 KBAEHO