smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCC[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 ZINC000014953725 553522326 /nfs/dbraw/zinc/52/23/26/553522326.db2.gz WCSPDMCSKYUFBX-ZJZGAYNASA-N 1 1 598.774 -0.455 50 30 KBEAMO CSCC[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 ZINC000014953735 553522350 /nfs/dbraw/zinc/52/23/50/553522350.db2.gz WCSPDMCSKYUFBX-SBFWRKJZSA-N 1 1 598.774 -0.455 50 30 KBEAMO CSCC[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 ZINC000060027367 554490338 /nfs/dbraw/zinc/49/03/38/554490338.db2.gz WCSPDMCSKYUFBX-LWSSLDFYSA-N 1 1 598.774 -0.455 50 30 KBEAMO CSCC[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 ZINC000256008407 572305030 /nfs/dbraw/zinc/30/50/30/572305030.db2.gz WCSPDMCSKYUFBX-NAVOZUGXSA-N 1 1 598.774 -0.455 50 30 KBEAMO