smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000004899469 568941407 /nfs/dbraw/zinc/94/14/07/568941407.db2.gz KKPOGALELPLJTL-MEYUZBJRSA-N 0 1 410.471 -1.174 10 0 HAAEMN C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)CN)C(=O)[O-] ZINC000015721897 560645933 /nfs/dbraw/zinc/64/59/33/560645933.db2.gz CLXVYFATVCRKJC-DCAQKATOSA-N 0 1 402.452 -3.231 10 0 HAAEMN