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]1[C@@H](O)[C@H](O)[C@@H](C[NH3+])O[C@@H]1O[C@H]1C[C@@H]2COC(=O)N2CC[C@@H]1[NH3+] ZINC000027847600 202160722 /nfs/dbraw/zinc/16/07/22/202160722.db2.gz JEYTZOCWLZOWNU-GFULLKHYSA-N 2 3 346.384 -2.954 1 0 EAAFHP N[C@@H]1C[C@H]([NH3+])[C@@]2(CC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)O2)[C@H](O)[C@H]1O ZINC000103265909 219279121 /nfs/dbraw/zinc/27/91/21/219279121.db2.gz OPYSBLLPJTWWGV-BOJIDMFESA-N 2 3 328.413 -2.448 1 0 EAAFHP