smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@@H]([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064559220 717132616 /nfs/dbraw/zinc/13/26/16/717132616.db2.gz YHAMNTJDHADVNT-XMMPIXPASA-N 2 0 420.662 4.901 1 30 HJEFRP NC(=[NH2+])c1ccc(/C=C2/CCCCCC/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1 ZINC000001545729 581101063 /nfs/dbraw/zinc/10/10/63/581101063.db2.gz FMUJSNADNLVZIJ-BMJUYKDLSA-N 2 0 400.526 4.645 1 30 HJEFRP CCCCCCCCCC[C@H]([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064559219 717132296 /nfs/dbraw/zinc/13/22/96/717132296.db2.gz YHAMNTJDHADVNT-DEOSSOPVSA-N 2 0 420.662 4.901 1 30 HJEFRP CCCCCCCCCC[C@H]([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573101 717132546 /nfs/dbraw/zinc/13/25/46/717132546.db2.gz TXTWPAPQHKRETD-QHCPKHFHSA-N 2 0 406.635 4.511 1 30 HJEFRP CCCCCCCCCC[C@@H]([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573104 717132439 /nfs/dbraw/zinc/13/24/39/717132439.db2.gz TXTWPAPQHKRETD-HSZRJFAPSA-N 2 0 406.635 4.511 1 30 HJEFRP