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)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000256002732 572304939 /nfs/dbraw/zinc/30/49/39/572304939.db2.gz SYJIRHFYUNCRMF-RCTAOEEJSA-N 1 1 580.734 -0.162 40 30 KBEBMO CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000256002733 572304884 /nfs/dbraw/zinc/30/48/84/572304884.db2.gz SYJIRHFYUNCRMF-VPBXCIAMSA-N 1 1 580.734 -0.162 40 30 KBEBMO