smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000013298421 562985700 /nfs/dbraw/zinc/98/57/00/562985700.db2.gz WINFHLHJTRGLCV-OKZBNKHCSA-N 2 0 437.541 -0.426 10 0 IBAERP [NH3+]CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000109565738 557035681 /nfs/dbraw/zinc/03/56/81/557035681.db2.gz WINFHLHJTRGLCV-RCCFBDPRSA-N 2 0 437.541 -0.426 10 0 IBAERP [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000109565742 557035761 /nfs/dbraw/zinc/03/57/61/557035761.db2.gz WINFHLHJTRGLCV-KSZLIROESA-N 2 0 437.541 -0.426 10 0 IBAERP