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@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000160937085 562849128 /nfs/dbraw/zinc/84/91/28/562849128.db2.gz SLLLAIADHHHUAB-KNWHVVHCSA-N 1 1 718.893 1.153 1 70 KDIFMO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000160937085 562849127 /nfs/dbraw/zinc/84/91/27/562849127.db2.gz SLLLAIADHHHUAB-KNWHVVHCSA-N 1 1 718.893 1.153 1 70 KDIFMO