smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C[C@@H]([NH3+])CCCCC[NH3+])[C@H]1CNC(=NC(N)=O)[N-]C1=O ZINC000066099111 215010689 /nfs/dbraw/zinc/01/06/89/215010689.db2.gz AAKPCLVOBZNQJH-UWVGGRQHSA-N 1 3 341.416 -0.956 1 30 EBEFHO CN(C(=O)C[C@@H]([NH3+])CCCCC[NH3+])[C@@H]1CNC(=NC(N)=O)[N-]C1=O ZINC000066099109 215009881 /nfs/dbraw/zinc/00/98/81/215009881.db2.gz AAKPCLVOBZNQJH-VHSXEESVSA-N 1 3 341.416 -0.956 1 30 EBEFHO