smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000013298421 562985702 /nfs/dbraw/zinc/98/57/02/562985702.db2.gz WINFHLHJTRGLCV-OKZBNKHCSA-N 1 3 437.541 -0.426 10 0 IBAEHO N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000109565738 557035701 /nfs/dbraw/zinc/03/57/01/557035701.db2.gz WINFHLHJTRGLCV-RCCFBDPRSA-N 1 3 437.541 -0.426 10 0 IBAEHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000109565742 557035763 /nfs/dbraw/zinc/03/57/63/557035763.db2.gz WINFHLHJTRGLCV-KSZLIROESA-N 1 3 437.541 -0.426 10 0 IBAEHO