smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159575892 345443929 /nfs/dbraw/zinc/44/39/29/345443929.db2.gz AJOJPNDMISLHAC-YUMQZZPRSA-N 1 1 232.280 -1.023 20 70 BAIDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159576001 345443413 /nfs/dbraw/zinc/44/34/13/345443413.db2.gz AJOJPNDMISLHAC-SFYZADRCSA-N 1 1 232.280 -1.023 20 70 BAIDMO